SCHEMBL19443209

SCHEMBL19443209

O=C(O)CC1CCc2cc(C3CCCCCCCCCCCCC3)ccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.53
▸ ITGB3 P05106 13/20 0.50
▸ ITGA2B P08514 13/20 0.50
▸ CYP26A1 O43174 4/20 0.46
▸ CYP19A1 P11511 1/20 0.43
▸ ACMSD Q8TDX5 1/20 0.42

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
SCHEMBL19443174 1.00 DGAT1 (0.53) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL19443179 1.00 DGAT1 (0.53) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL4622497 0.80 CYP26A1 (0.70) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL8536553 0.79 DGAT1 (0.57) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL10341531 0.79 CYP26A1 (0.59) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL10341498 0.75 DGAT1 (0.54) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL4621871 0.75 CYP24A1 (0.68) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL12978373 0.75 DGAT1 (0.50) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL8535642 0.75 CYP19A1 (0.58) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL5582823 0.73 ITGB3 (0.66) DGAT1ITGB3ITGA2BCYP26A1

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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