SCHEMBL3717830

SCHEMBL3717830

CC(=O)NC(C)c1ccc2cc(Cc3ccc(OC(C)C)cc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.57
ACACA Q13085 9/20 0.57
POLB P06746 1/20 0.47

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
SCHEMBL3728643 0.83 ACACB (0.61) ACACBACACA
SCHEMBL3717475 0.83 ACACB (0.73) ACACBACACA
SCHEMBL3808755 0.83 ACACB (0.73) ACACBACACA
SCHEMBL13076454 0.81 ACACB (0.59) ACACBACACA
SCHEMBL3717831 0.79 ACACB (0.65) ACACBPOLB
SCHEMBL16579125 0.77 ACACB (0.91) ACACBACACA
SCHEMBL12001075 0.77 ACACB (0.91) ACACBACACA
SCHEMBL12001209 0.77 ACACB (0.91) ACACBACACA
SCHEMBL13076342 0.76 ACACB (0.55) ACACBACACA
SCHEMBL3727054 0.76 ACACB (0.61) 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