SCHEMBL3720744

SCHEMBL3720744

CC(=O)NC(C)c1ccc2cc(Oc3ccc(O)cc3C)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.51
ACACA Q13085 11/20 0.51
ALOX5 P09917 1/20 0.46

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
SCHEMBL3726184 0.88 ACACB (0.66) ACACBACACAALOX5
SCHEMBL3727288 0.87 ACACB (0.46) ACACBACACAALOX5
SCHEMBL3720090 0.87 ACACB (0.46) ACACBACACAALOX5
SCHEMBL13076810 0.85 ACACB (0.58) ACACBACACA
SCHEMBL3726452 0.85 ACACB (0.59) ACACBACACAALOX5
SCHEMBL13077226 0.84 ACACB (0.55) ACACBACACAALOX5
SCHEMBL13077236 0.83 ACACB (0.66) ACACBACACAALOX5
SCHEMBL3724464 0.83 ACACB (0.60) ACACBACACA
SCHEMBL3720169 0.82 MMP9 (0.51) ACACBACACAALOX5
SCHEMBL3726321 0.82 CYP2C9 (0.52) ACACBACACAALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed