SCHEMBL10189113

SCHEMBL10189113

CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)cc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.64
SOAT1 P35610 3/20 0.64
SCD O00767 4/20 0.49
NPBWR1 P48145 1/20 0.46
FAAH O00519 1/20 0.43
CHRM2 P08172 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL10189649 0.90 DGAT1 (0.52) DGAT1SOAT1SCDNPBWR1
SCHEMBL10188929 0.90 DGAT1 (0.52) DGAT1SOAT1SCD
SCHEMBL901694 0.90 DGAT1 (0.52) DGAT1SOAT1SCD
SCHEMBL10189215 0.87 DGAT1 (0.49) DGAT1SOAT1SCDNPBWR1
SCHEMBL10189564 0.85 DGAT1 (0.47) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL902157 0.83 DGAT1 (0.75) DGAT1SOAT1SCD
SCHEMBL902394 0.83 DGAT1 (0.65) DGAT1SOAT1SCDNPBWR1
SCHEMBL902147 0.81 DGAT1 (0.68) DGAT1SOAT1
SCHEMBL902462 0.81 DGAT1 (0.73) DGAT1SOAT1
SCHEMBL10189664 0.79 DGAT1 (0.60) DGAT1SOAT1SCD

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