SCHEMBL3721078

SCHEMBL3721078

CCOc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3n2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.49
ACACA Q13085 9/20 0.46
LMNA P02545 1/20 0.44
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
SCHEMBL13076363 0.94 ACACB (0.52) ACACBACACA
SCHEMBL3722995 0.93 ACACB (0.49) ACACBACACALMNA
SCHEMBL13076459 0.92 ACACB (0.45) ACACBACACAALOX5
SCHEMBL3720613 0.89 ACACB (0.48) ACACBACACAALOX5
SCHEMBL3719785 0.89 ACACB (0.49) ACACBACACA
SCHEMBL3724181 0.88 ACACA (0.52) ACACBACACA
SCHEMBL3724675 0.88 ACACB (0.56) ACACBACACALMNAALOX5
SCHEMBL3720899 0.87 ACACB (0.51) ACACBACACA
SCHEMBL3720844 0.86 ACACA (0.48) ACACBACACA
SCHEMBL3724126 0.85 ACACB (0.48) 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