SCHEMBL13076804

SCHEMBL13076804

CC(=O)NC(C)c1ccc2cc(Oc3ccc(OCC(C)C)cc3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.65
ACACA Q13085 11/20 0.58

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
SCHEMBL3726815 0.89 ACACB (0.74) ACACBACACA
SCHEMBL13076809 0.86 ACACB (0.76) ACACBACACA
SCHEMBL13077226 0.86 ACACB (0.55) ACACBACACA
SCHEMBL3716764 0.85 ACACB (0.54) ACACBACACA
SCHEMBL3726200 0.85 ACACB (0.57) ACACBACACA
SCHEMBL3726452 0.84 ACACB (0.59) ACACBACACA
SCHEMBL3721037 0.83 ACACB (0.76) ACACBACACA
SCHEMBL3717475 0.83 ACACB (0.73) ACACBACACA
SCHEMBL3808755 0.83 ACACB (0.73) ACACBACACA
SCHEMBL12001193 0.81 ACACB (0.80) 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