SCHEMBL3721037

SCHEMBL3721037

CC(=O)NC(C)c1ccc2cc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.76
ACACA Q13085 11/20 0.76

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
SCHEMBL13077220 0.87 ACACB (0.65) ACACBACACA
SCHEMBL3727158 0.87 ACACB (0.62) ACACBACACA
SCHEMBL3720196 0.87 ACACA (0.61) ACACBACACA
SCHEMBL3726964 0.85 ACACA (0.61) ACACBACACA
SCHEMBL3726815 0.84 ACACB (0.74) ACACBACACA
SCHEMBL13076804 0.83 ACACB (0.65) ACACBACACA
SCHEMBL19834471 0.83 ACACA (0.88) ACACBACACA
SCHEMBL3723840 0.83 ACACB (0.59) ACACBACACA
SCHEMBL13076809 0.82 ACACB (0.76) ACACBACACA
SCHEMBL19834412 0.82 ACACA (1.00) 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 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