SCHEMBL3720103

SCHEMBL3720103

CCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.54
ACACA Q13085 13/20 0.49

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
SCHEMBL13077049 0.91 ACACB (0.54) ACACBACACA
SCHEMBL3720196 0.90 ACACA (0.61) ACACBACACA
SCHEMBL13077234 0.90 ACACB (0.51) ACACBACACA
SCHEMBL13076357 0.89 ACACB (0.47) ACACBACACA
SCHEMBL3728782 0.86 ACACA (0.56) ACACBACACA
SCHEMBL3720867 0.84 ACACB (0.49) ACACBACACA
SCHEMBL3719947 0.83 ACACA (0.42) ACACBACACA
SCHEMBL13076817 0.79 ACACB (0.53) ACACBACACA
SCHEMBL3724181 0.79 ACACA (0.52) ACACBACACA
SCHEMBL13077252 0.79 ACACB (0.46) 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