SCHEMBL3728856

SCHEMBL3728856

CC(=O)NC(C)c1ccc2cc(Oc3ccc(O)cc3Cl)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.42
STK39 Q9UEW8 1/20 0.41
ESRRA P11474 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ACACA Q13085 1/20 0.38

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
SCHEMBL3726420 0.90 ACACB (0.47) ACACBACACA
SCHEMBL3720294 0.84 ACACB (0.43) ACACBACACA
SCHEMBL3727288 0.84 ACACB (0.46) ACACBSTK39ESRRAACACA
SCHEMBL3728857 0.77 STK39 (0.41) ACACBSTK39ESRRA
SCHEMBL3798078 0.73 ALOX5 (0.57) ACACBACACA
SCHEMBL3719663 0.73 ACACB (0.56) ACACBACACA
SCHEMBL3719330 0.72 ESRRA (0.60) STK39ESRRA
SCHEMBL3724748 0.72 ACACB (0.47) ACACBACACA
SCHEMBL3726987 0.71 ACACB (0.48) ACACBACACA
SCHEMBL3720744 0.71 ACACB (0.51) 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 claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed