SCHEMBL3717475

SCHEMBL3717475

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

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.73
ACACA Q13085 15/20 0.73
ALOX5 P09917 1/20 0.51

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
SCHEMBL3808755 1.00 ACACB (0.73) ACACBACACAALOX5
SCHEMBL16579125 0.89 ACACB (0.91) ACACBACACA
SCHEMBL3727560 0.88 ACACB (0.58) ACACBACACAALOX5
SCHEMBL3726452 0.88 ACACB (0.59) ACACBACACAALOX5
SCHEMBL3728643 0.86 ACACB (0.61) ACACBACACAALOX5
SCHEMBL13077236 0.86 ACACB (0.66) ACACBACACAALOX5
SCHEMBL3726184 0.86 ACACB (0.66) ACACBACACAALOX5
SCHEMBL3717588 0.86 ACACB (0.56) ACACBACACAALOX5
SCHEMBL3719663 0.85 ACACB (0.56) ACACBACACAALOX5
SCHEMBL13077240 0.85 ACACB (0.56) 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