SCHEMBL3726804

SCHEMBL3726804

CC(=O)NC(C)c1ccc2nc(Oc3ccc(Oc4ccncc4)cc3C)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.49
ACACA Q13085 11/20 0.49
BRAF P15056 3/20 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
SCHEMBL3724463 0.88 ACACB (0.55) ACACBACACA
SCHEMBL3724307 0.86 SCN7A (0.46) ACACBACACA
SCHEMBL3717954 0.86 SCN7A (0.46) ACACBACACA
SCHEMBL3719879 0.85 ACACB (0.42) ACACBACACA
SCHEMBL3727350 0.85 ACACB (0.54) ACACBACACA
SCHEMBL3721520 0.85 ACACB (0.45) ACACBACACA
SCHEMBL13076461 0.85 ACACB (0.49) ACACBACACA
SCHEMBL13077089 0.85 ACACB (0.41) ACACBACACA
SCHEMBL3720793 0.84 ACACB (0.46) ACACBACACA
SCHEMBL3726407 0.84 ACACB (0.52) 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 3 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 claimed
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