SCHEMBL10113429

SCHEMBL10113429

COc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCC(COc5cccc(C(=O)O)c5)CC4)nc3)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.91
SOAT1 P35610 2/20 0.84
CYP3A4 P08684 1/20 0.84
SOAT2 O75908 1/20 0.61
DGAT2 Q96PD7 1/20 0.61
NR1H4 Q96RI1 2/20 0.54
FABP1 P07148 1/20 0.52
MEN1 O00255 1/20 0.51
CASP3 P42574 1/20 0.51
KMT2A Q03164 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL10113444 0.98 DGAT1 (0.89) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113363 0.94 DGAT1 (0.91) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113364 0.93 DGAT1 (0.92) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113434 0.92 DGAT1 (0.91) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113342 0.92 DGAT1 (0.81) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113679 0.92 DGAT1 (1.00) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113657 0.91 DGAT1 (0.86) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113430 0.91 DGAT1 (0.89) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113418 0.90 DGAT1 (0.90) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113122 0.90 DGAT1 (0.85) DGAT1SOAT1CYP3A4SOAT2DGAT2

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-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed