SCHEMBL3719663

SCHEMBL3719663

CC(=O)NC(C)c1ccc2cc(Oc3ccc(OC(C)C)cc3Cl)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.56
ACACA Q13085 6/20 0.56
ALOX5 P09917 1/20 0.45
RORC P51449 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL13076447 0.93 ACACB (0.56) ACACBACACAALOX5RORCTAS1R3
SCHEMBL3798078 0.91 ALOX5 (0.57) ACACBACACAALOX5TAS1R3TAS1R1
SCHEMBL3727288 0.88 ACACB (0.46) ACACBACACAALOX5TAS1R3TAS1R1
SCHEMBL13077221 0.88 ACACB (0.57) ACACBACACA
SCHEMBL3726184 0.87 ACACB (0.66) ACACBACACAALOX5
SCHEMBL3722350 0.87 TAS1R3 (0.56) ACACBACACAALOX5TAS1R3TAS1R1
SCHEMBL3721454 0.87 ACACB (0.47) ACACBACACAALOX5TAS1R3TAS1R1
SCHEMBL3724748 0.87 ACACB (0.47) ACACBACACAALOX5
SCHEMBL3716764 0.87 ACACB (0.54) ACACBACACA
SCHEMBL3726987 0.86 ACACB (0.48) 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