SCHEMBL13076459

SCHEMBL13076459

CC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC(C)C)c(Br)c3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.45
ACACA Q13085 8/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL3721078 0.92 ACACB (0.49) ACACBACACAALOX5
SCHEMBL13076363 0.91 ACACB (0.52) ACACBACACA
SCHEMBL3720613 0.89 ACACB (0.48) ACACBACACAALOX5
SCHEMBL3724181 0.88 ACACA (0.52) ACACBACACA
SCHEMBL3726200 0.87 ACACB (0.57) ACACBACACA
SCHEMBL3722995 0.86 ACACB (0.49) ACACBACACA
SCHEMBL3720844 0.85 ACACA (0.48) ACACBACACA
SCHEMBL3724126 0.85 ACACB (0.48) ACACBACACAALOX5
SCHEMBL3720899 0.84 ACACB (0.51) ACACBACACA
SCHEMBL13076461 0.84 ACACB (0.49) ACACBACACA

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