SCHEMBL3717628

SCHEMBL3717628

CC(=O)NC(C)c1ccc2cc(Oc3cccc(OC(F)(F)F)c3Cl)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.47
ACACA Q13085 10/20 0.47
ALOX5 P09917 1/20 0.41
HCRTR1 O43613 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER4 P35408 1/20 0.40

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
SCHEMBL3721454 0.84 ACACB (0.47) ACACBACACAALOX5PTGER4
SCHEMBL3719867 0.84 ACACA (0.60) ACACBACACAPTGER4
SCHEMBL13077046 0.82 ACACB (0.54) ACACBACACAALOX5
SCHEMBL3802101 0.80 ACACB (0.44) ACACBACACAALOX5
SCHEMBL3718493 0.79 ACACB (0.47) ACACBACACAALOX5
SCHEMBL3720746 0.78 ACACB (0.52) ACACBACACA
SCHEMBL3719222 0.78 ACACB (0.47) ACACBACACA
SCHEMBL13077238 0.78 ACACB (0.53) ACACBACACAALOX5
SCHEMBL3722464 0.77 CYP17A1 (0.41) ACACBACACA
SCHEMBL3718429 0.77 ACACB (0.44) 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