SCHEMBL3720510

SCHEMBL3720510

CC(=O)NC(C)c1ccc2nc(Oc3ccc(OC(C)C)c(Cl)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.47
ACACA Q13085 7/20 0.47
RORC P51449 1/20 0.43

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
SCHEMBL3726987 0.93 ACACB (0.48) ACACBACACA
SCHEMBL3720613 0.89 ACACB (0.48) ACACBACACA
SCHEMBL3727350 0.89 ACACB (0.54) ACACBACACA
SCHEMBL3719785 0.89 ACACB (0.49) ACACBACACARORC
SCHEMBL3722804 0.88 ACACB (0.52) ACACBACACA
SCHEMBL13076447 0.88 ACACB (0.56) ACACBACACARORC
SCHEMBL3727054 0.87 ACACB (0.61) ACACBACACA
SCHEMBL3723075 0.85 ACACB (0.57) ACACBACACA
SCHEMBL13076817 0.85 ACACB (0.53) ACACBACACA
SCHEMBL3724463 0.84 ACACB (0.55) 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