SCHEMBL14813201

SCHEMBL14813201

CC(C)(NC(=O)CC1CCC(c2ccc(-c3cc(C(F)(F)F)n[nH]3)cc2)CC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.54
SOAT1 P35610 4/20 0.42
SHMT1 P34896 1/20 0.35
SHMT2 P34897 1/20 0.35
FAAH O00519 1/20 0.35
CHRM2 P08172 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CRHR1 P34998 1/20 0.34
IDO1 P14902 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
SCHEMBL4566721 0.89 DGAT1 (0.45) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4467044 0.86 DGAT1 (0.45) DGAT1SOAT1CRHR1IDO1
SCHEMBL4933321 0.84 DGAT1 (0.52) DGAT1SOAT1CRHR1
SCHEMBL4941289 0.83 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL27790786 0.82 DGAT1 (0.42) DGAT1SOAT1CRHR1IDO1
SCHEMBL4566722 0.81 DGAT1 (0.40) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL14813158 0.81 DGAT1 (0.41) DGAT1SOAT1
SCHEMBL14813127 0.79 DGAT1 (0.44) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4490364 0.77 DGAT1 (0.40) DGAT1SOAT1
SCHEMBL4935344 0.72 DGAT1 (0.53) DGAT1SOAT1FAAHCHRM2DGAT2

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
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP disclosed