SCHEMBL9858577

SCHEMBL9858577

Cc1ccc(SC(CCCCSc2ccccc2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.58
PPARA Q07869 12/20 0.58
ALOX5 P09917 10/20 0.58
PTGES O14684 7/20 0.58
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9614217 0.83 PPARG (0.57) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9858491 0.83 PPARG (0.75) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613827 0.82 PPARG (0.73) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL10419970 0.81 ALOX5 (0.55) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL10420221 0.81 ALOX5 (0.55) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL10419418 0.81 ALOX5 (0.55) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL3035290 0.81 PPARG (0.50) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9614105 0.80 PPARG (0.63) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL5171584 0.79 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL9613848 0.78 PPARG (0.81) PPARGPPARAALOX5PTGESALDH1A1

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
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