SCHEMBL13076352

SCHEMBL13076352

CC(=O)NC(C)c1ccc2cc(Nc3ccc(OC(F)(F)F)cc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.49
ALDH1A1 P00352 3/20 0.47
PDE2A O00408 6/20 0.47
ALOX5 P09917 1/20 0.43
HPGD P15428 1/20 0.43
EPHX2 P34913 1/20 0.43
CHRNA7 P36544 2/20 0.42
MGLL Q99685 1/20 0.42
HCRTR1 O43613 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13077046 0.85 ACACB (0.54) ACACBPDE2AALOX5
SCHEMBL3722378 0.85 ACACB (0.51) ACACBMGLLHCRTR1TDP1
SCHEMBL13076454 0.84 ACACB (0.59) ACACBALOX5HCRTR1TDP1
SCHEMBL30186632 0.83 ACACB (0.63) ACACBPDE2A
SCHEMBL30202951 0.83 ACACB (0.63) ACACBPDE2A
SCHEMBL3719867 0.80 ACACA (0.60) ACACB
SCHEMBL3721454 0.77 ACACB (0.47) ACACBPDE2AALOX5
SCHEMBL21295116 0.76 ACACB (0.56) ACACB
SCHEMBL3721936 0.75 CYP17A1 (0.47) ACACBHCRTR1TDP1
SCHEMBL3719875 0.74 ALOX5 (0.74) ACACBPDE2AALOX5TDP1

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 1 patent. 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