SCHEMBL10188922

SCHEMBL10188922

COc1ccc2[nH]c(C3=CC=C(C4=CC=C(C5CCC(CC(=O)O)CC5)CC4)CC3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.41
SOAT1 P35610 2/20 0.41
FFAR4 Q5NUL3 3/20 0.38
KCNH2 Q12809 7/20 0.37
ADORA2A P29274 4/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
CHEK2 O96017 1/20 0.35

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
SCHEMBL902786 0.84 DGAT1 (0.40) DGAT1SOAT1KCNH2ADORA2AITGB3
SCHEMBL901617 0.79 DGAT1 (0.50) DGAT1SOAT1KCNH2ADORA2A
SCHEMBL902608 0.76 DGAT1 (0.45) DGAT1SOAT1FFAR4KCNH2ADORA2A
SCHEMBL10189190 0.74 DGAT1 (0.44) DGAT1SOAT1KCNH2ADORA2AITGB3
SCHEMBL902393 0.73 DGAT1 (0.42) DGAT1SOAT1KCNH2ADORA2A
SCHEMBL901150 0.72 DGAT1 (0.53) DGAT1SOAT1KCNH2ADORA2A
SCHEMBL902025 0.72 DGAT1 (0.43) DGAT1SOAT1
SCHEMBL902577 0.72 DGAT1 (0.53) DGAT1SOAT1KCNH2ADORA2A
SCHEMBL902702 0.71 DGAT1 (0.47) DGAT1SOAT1KCNH2ADORA2A
SCHEMBL901631 0.70 CDK9 (0.32) DGAT1

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-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed