SCHEMBL10113657

SCHEMBL10113657

COC(=O)c1cccc(OCC2CCN(c3ccc(NC(=O)c4ccc(Oc5ccccc5)cc4)cn3)CC2)c1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.86
SOAT1 P35610 2/20 0.80
CYP3A4 P08684 1/20 0.80
SOAT2 O75908 1/20 0.58
DGAT2 Q96PD7 1/20 0.58
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
FABP1 P07148 1/20 0.51
KCNH2 Q12809 1/20 0.49
MCHR1 Q99705 1/20 0.49
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL10113683 0.97 DGAT1 (0.85) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113362 0.95 DGAT1 (0.78) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113795 0.94 DGAT1 (0.77) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113678 0.92 DGAT1 (0.87) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113429 0.91 DGAT1 (0.91) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113648 0.90 DGAT1 (0.85) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113637 0.90 DGAT1 (0.69) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113363 0.89 DGAT1 (0.91) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113443 0.89 DGAT1 (0.90) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113679 0.89 DGAT1 (1.00) 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