SCHEMBL18746423

SCHEMBL18746423

O=C(O)C[C@]1(O)CCc2cc(C3CCCCCCCC3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ ACMSD Q8TDX5 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ KMO O15229 1/20 0.37
▸ DGAT1 O75907 8/20 0.37
▸ MITF O75030 1/20 0.37
▸ KLF5 Q13887 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ HAO1 Q9UJM8 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL18746424 0.85 EPHX2 (0.40) EPHX2ACMSDCYP3A4KMODGAT1
SCHEMBL14137104 0.73 DGAT1 (0.50) DGAT1
SCHEMBL11674766 0.73 ACMSD (0.41) EPHX2ACMSDCYP3A4KMOMITF
SCHEMBL19443174 0.72 DGAT1 (0.53) ACMSDDGAT1
SCHEMBL19443179 0.72 DGAT1 (0.53) ACMSDDGAT1
SCHEMBL19443209 0.72 DGAT1 (0.53) ACMSDDGAT1
SCHEMBL14137109 0.70 DGAT1 (0.49) DGAT1
SCHEMBL11674977 0.69 TACR1 (0.41) EPHX2ACMSDKMOMITFKLF5
SCHEMBL1740476 0.68 EPHX2 (0.40) EPHX2ACMSDCYP3A4PDK2
SCHEMBL1740480 0.67 EPHX2 (0.38) EPHX2CYP3A4PDK2

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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