SCHEMBL3720844

SCHEMBL3720844

CC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CCCCC4)c(Br)c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 11/20 0.48
ACACB O00763 10/20 0.48
SRC P12931 3/20 0.44
YES1 P07947 1/20 0.44

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
SCHEMBL3724181 0.96 ACACA (0.52) ACACAACACB
SCHEMBL3720493 0.93 ACACA (0.50) ACACAACACB
SCHEMBL3806064 0.90 ACACB (0.49) ACACAACACBSRCYES1
SCHEMBL3728782 0.89 ACACA (0.56) ACACAACACB
SCHEMBL3721078 0.86 ACACB (0.49) ACACAACACB
SCHEMBL3721287 0.86 ACACA (0.51) ACACAACACB
SCHEMBL13076817 0.86 ACACB (0.53) ACACAACACB
SCHEMBL13076363 0.85 ACACB (0.52) ACACAACACB
SCHEMBL13076459 0.85 ACACB (0.45) ACACAACACB
SCHEMBL3720196 0.84 ACACA (0.61) ACACAACACB

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