SCHEMBL18746440

SCHEMBL18746440

C=N/C(=C\C=C(/C)N)c1ccc2c(c1)CCC(CC(=O)OCC)(CC(F)(F)F)C2=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 17/20 0.40
▸ MAPK14 Q16539 1/20 0.31
▸ AOC3 Q16853 2/20 0.30

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
SCHEMBL17195437 0.79 DGAT1 (0.49) DGAT1
SCHEMBL15742518 0.78 DGAT1 (0.47) DGAT1AOC3
SCHEMBL14061891 0.78 DGAT1 (0.48) DGAT1
SCHEMBL14061631 0.76 SMN1; SMN2 (0.49) DGAT1AOC3
SCHEMBL14061811 0.76 DGAT1 (0.56) DGAT1
SCHEMBL19443193 0.75 DGAT1 (0.43) DGAT1MAPK14
SCHEMBL15743107 0.75 DGAT1 (0.46) DGAT1
SCHEMBL14061904 0.74 DGAT1 (0.47) DGAT1
SCHEMBL14062380 0.72 DGAT1 (0.43) DGAT1
SCHEMBL14061937 0.71 DGAT1 (0.53) 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
US-9624174-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-04-18 — — US disclosed
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