SCHEMBL9814963

SCHEMBL9814963

Cc1ccc(SC(CCCCCCc2cccs2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.50
▸ PPARA Q07869 7/20 0.50
▸ ALOX5 P09917 6/20 0.50
▸ PTGES O14684 4/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TRPM8 Q7Z2W7 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL27274330 0.99 PPARG (0.51) PPARGPPARAALOX5PTGESKMT2A
SCHEMBL10419970 0.81 ALOX5 (0.55) PPARGPPARAALOX5PTGESKMT2A
SCHEMBL10419418 0.81 ALOX5 (0.55) PPARGPPARAALOX5PTGESKMT2A
SCHEMBL10420221 0.81 ALOX5 (0.55) PPARGPPARAALOX5PTGESKMT2A
SCHEMBL9814972 0.76 TRPM8 (0.50) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL9614217 0.76 PPARG (0.57) PPARGPPARAALOX5PTGESKMT2A
SCHEMBL10419188 0.76 PPARG (0.52) PPARGPPARAALOX5PTGESKMT2A
SCHEMBL9695329 0.76 PPARG (0.52) PPARGPPARAALOX5PTGESKMT2A
SCHEMBL9814917 0.75 MMP2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL27276885 0.75 TRPM8 (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275024-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-04 — — EP disclosed
US-4833161-A ANTIDIABETIC AGENTS, ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-23 — — US disclosed
EP-0275024-A1 Carboxylic-acid derivatives, processes for their preparation and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1988-07-20 — — EP disclosed
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