SCHEMBL3455283

SCHEMBL3455283

COc1ccc(CNC(=O)c2sc(C#Cc3ccc(OC(C)=O)cc3)nc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.53
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CHRM4 P08173 6/20 0.47
FLT1 P17948 1/20 0.46
LRRK2 Q5S007 1/20 0.46
PPARD Q03181 4/20 0.45
MAPT P10636 2/20 0.45
PPARG P37231 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3455855 0.92 PPARA (0.55) PPARACHRM4PPARDMAPTPPARG
SCHEMBL3455202 0.92 PPARA (0.55) PPARACHRM4PPARDMAPTPPARG
SCHEMBL3455026 0.90 PPARA (0.55) PPARAGSK3AGSK3BCHRM4FLT1
SCHEMBL3454004 0.85 PPARD (0.43) PPARAPPARDMAPTHPGDKMT2A
SCHEMBL3454888 0.83 MEN1 (0.49) GSK3BCHRM4MAPTSMN1; SMN2HPGD
SCHEMBL3454248 0.83 CHRM4 (0.47) CHRM4MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL3447843 0.80 RAB9A (0.48) MAPTSMN1; SMN2RXFP1HPGDKMT2A
SCHEMBL3455122 0.80 PPARA (0.55) PPARACHRM4PPARDPPARGKMT2A
SCHEMBL3454456 0.79 PPARA (0.47) PPARAPPARDPPARGSMN1; SMN2HPGD
SCHEMBL3454459 0.78 SCD (0.55) PPARACHRM4PPARDMAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed