SCHEMBL13077046

SCHEMBL13077046

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

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.54
ACACA Q13085 14/20 0.54
PDE2A O00408 1/20 0.48
ALOX5 P09917 1/20 0.48

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
SCHEMBL3719867 0.92 ACACA (0.60) ACACBACACA
SCHEMBL13076352 0.85 ACACB (0.49) ACACBPDE2AALOX5
SCHEMBL3721454 0.85 ACACB (0.47) ACACBACACAPDE2AALOX5
SCHEMBL30202951 0.85 ACACB (0.63) ACACBACACAPDE2A
SCHEMBL30186632 0.85 ACACB (0.63) ACACBACACAPDE2A
SCHEMBL3726452 0.84 ACACB (0.59) ACACBACACAALOX5
SCHEMBL3720746 0.84 ACACB (0.52) ACACBACACA
SCHEMBL3717475 0.83 ACACB (0.73) ACACBACACAALOX5
SCHEMBL3808755 0.83 ACACB (0.73) ACACBACACAALOX5
SCHEMBL3717628 0.82 ACACB (0.47) 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 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