SCHEMBL19443188

SCHEMBL19443188

CCOC(=O)CC1(C(F)(F)F)CCc2cc(/C(N)=C/C=C(\N)Br)ccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.34
▸ DGAT1 O75907 9/20 0.33
▸ AOC3 Q16853 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ F2 P00734 3/20 0.31
▸ F10 P00742 2/20 0.31
▸ PDK2 Q15119 3/20 0.31

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
SCHEMBL19443193 0.71 DGAT1 (0.43) MAPK14DGAT1
SCHEMBL18746440 0.69 DGAT1 (0.40) MAPK14DGAT1AOC3
SCHEMBL17211815 0.67 ALDH1A1 (0.35) MAPK14DGAT1AOC3ALDH1A1GAA
SCHEMBL17195437 0.66 DGAT1 (0.49) DGAT1ALDH1A1
SCHEMBL15742518 0.66 DGAT1 (0.47) DGAT1AOC3
SCHEMBL14061891 0.65 DGAT1 (0.48) DGAT1
SCHEMBL14061631 0.64 SMN1; SMN2 (0.49) DGAT1AOC3
SCHEMBL14061811 0.64 DGAT1 (0.56) DGAT1
SCHEMBL17211843 0.63 DGAT1 (0.55) DGAT1ALDH1A1
SCHEMBL17195444 0.63 DGAT1 (0.55) DGAT1ALDH1A1

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-2916839-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-10-11 — — EP disclosed
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