SCHEMBL3728643

SCHEMBL3728643

CC(=O)NC(C)c1ccc2cc(C(O)c3ccc(OC(C)C)cc3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.61
ACACA Q13085 8/20 0.61
ALOX5 P09917 1/20 0.48

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
SCHEMBL3808755 0.86 ACACB (0.73) ACACBACACAALOX5
SCHEMBL3717475 0.86 ACACB (0.73) ACACBACACAALOX5
SCHEMBL13076454 0.84 ACACB (0.59) ACACBACACAALOX5
SCHEMBL3717830 0.83 ACACB (0.57) ACACBACACA
SCHEMBL12001075 0.80 ACACB (0.91) ACACBACACA
SCHEMBL12001209 0.80 ACACB (0.91) ACACBACACA
SCHEMBL16579125 0.80 ACACB (0.91) ACACBACACA
SCHEMBL3727054 0.79 ACACB (0.61) ACACBACACA
SCHEMBL3726184 0.79 ACACB (0.66) ACACBACACAALOX5
SCHEMBL3719875 0.79 ALOX5 (0.74) ACACBALOX5

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