SCHEMBL6494429

SCHEMBL6494429

COc1ccc(CC2SC(=O)NC2=O)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
CA2 P00918 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PPARG P37231 8/20 0.43
MPC2 O95563 2/20 0.43
CYP2C8 P10632 2/20 0.43
CYP2C9 P11712 2/20 0.43
MAOA P21397 2/20 0.41
CISD1 Q9NZ45 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.40
FFAR1 O14842 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6495565 0.83 PTPN1 (0.57) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6506168 0.81 PPARD (0.61) PTPN1PPARG
SCHEMBL14273294 0.80 PTPN1 (0.51) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6232223 0.79 PTPN1 (0.61) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL5031762 0.78 PPARA (0.45) ALDH1A1PPARG
SCHEMBL6497143 0.78 PTPN1 (0.48) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL6497330 0.78 PTPN1 (0.48) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL5390735 0.77 FFAR1 (0.56) ALDH1A1NPSR1PPARGMPC2CYP2C8
SCHEMBL5031794 0.77 PPARD (0.44) ALDH1A1PPARG
SCHEMBL14262592 0.77 PTPN1 (0.59) PTPN1CA2ALDH1A1NPSR1PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed