SCHEMBL9614072

SCHEMBL9614072

Cc1ccc(SC(CCCOCc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.55
PPARA Q07869 11/20 0.55
ALOX5 P09917 10/20 0.55
PTGES O14684 9/20 0.55
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
CYP2C9 P11712 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
SCHEMBL9614003 0.82 PPARG (0.50) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL10419188 0.82 PPARG (0.52) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9695329 0.82 PPARG (0.52) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613996 0.81 PPARG (0.46) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9858468 0.81 PPARG (0.74) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613814 0.80 PPARG (0.72) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9614245 0.78 PPARA (0.65) PPARGPPARA
SCHEMBL9614074 0.77 PPARG (0.64) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9614486 0.77 PPARG (0.58) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613904 0.76 MMP2 (0.53) PPARGPPARAALDH1A1MAPTLMNA

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
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed