SCHEMBL3432945

SCHEMBL3432945

CC(C)(CCc1nccs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
FDPS P14324 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
COPS5 Q92905 1/20 0.36
TSHR P16473 1/20 0.36
TBXAS1 P24557 4/20 0.36
PKM P14618 1/20 0.36
PPARA Q07869 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT1 O75907 1/20 0.34
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL10714336 0.81 FDPS (0.40) FDPSALDH1A1COPS5TSHRPKM
SCHEMBL6770012 0.78 FDPS (0.38) FDPSCYP2C9ALDH1A1TSHRSLC6A3
SCHEMBL24248595 0.73 FDPS (0.37) FDPSCYP1A2CYP2C9ALDH1A1TSHR
SCHEMBL992041 0.73 FDPS (0.44) FDPSALDH1A1COPS5TSHRSLC6A3
SCHEMBL8997963 0.73 FDPS (0.41) FDPSCYP1A2CYP2C9ALDH1A1COPS5
SCHEMBL19616053 0.73 ALDH1A1 (0.36) FDPSCYP1A2CYP2C9ALDH1A1
SCHEMBL29470115 0.72 FDPS (0.41) FDPSALDH1A1TSHRPKMSLC6A3
SCHEMBL4574427 0.72 ALDH1A1 (0.47) FDPSALDH1A1COPS5TSHRPKM
SCHEMBL16133682 0.71 COPS5 (0.45) FDPSALDH1A1COPS5PKMMEN1
SCHEMBL12752066 0.71 PKM (0.38) FDPSALDH1A1TSHRPKMTRPM8

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-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed