SCHEMBL14137109

SCHEMBL14137109

O=C(O)CC1(O)CCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 18/20 0.49
▸ AKR1B1 P15121 2/20 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
SCHEMBL14061881 0.85 ALDH1A1 (0.43) DGAT1
SCHEMBL14137104 0.83 DGAT1 (0.50) DGAT1
SCHEMBL14061930 0.83 DGAT1 (0.48) DGAT1
SCHEMBL14060558 0.76 DGAT1 (0.74) DGAT1
SCHEMBL14061988 0.75 DGAT1 (0.50) DGAT1
SCHEMBL14061748 0.75 DGAT1 (0.54) DGAT1
SCHEMBL14137094 0.75 DGAT1 (0.55) DGAT1
SCHEMBL14061838 0.73 ALDH1A1 (0.42) DGAT1
SCHEMBL14061637 0.73 DGAT1 (0.39) DGAT1
SCHEMBL14062073 0.72 MAPT (0.43) 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
WO-2012162127-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-29 — — WO disclosed
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