On Target HYES_HUMAN 0.369863/CHEMBL3764398
For the given ligand Aspirin, we have found in our database that, being scored 0.369863, the most similar ligand is CHEMBL3764398. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL3764398 (Similar Ligand) |
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| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | CCC(Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)O |
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| 00010000 81040008 2200010a 10010200 40483000 00000801 02040140 18001400 00002840 00580840 48100000 40409200 9402800a 00a00000 03000401 0008000c 00000000 02000000 02402098 0a022001 00000100 08000200 05008000 08400012 00001800 80002400 00524000 80000000 00014202 80020002 24020840 00000410 | 00000000 41800808 2010010a 50010600 00001000 00000000 02240400 02001000 00000900 00080850 08300000 40009808 84008802 01200000 01000481 00080008 00002000 02000000 00482008 00020201 84020100 08028e00 01000040 0040001c 00000800 c0000000 00224000 90000000 00000300 00060003 80160000 00000600 |