SCHEMBL3718429

SCHEMBL3718429

CC(=O)NC(C)c1ccc2cc(Oc3cc(Cl)c(OCC(C)C)c(OC(F)(F)F)c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.44
ACACA Q13085 11/20 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
SCHEMBL3719222 0.92 ACACB (0.47) ACACBACACA
SCHEMBL3722464 0.91 CYP17A1 (0.41) ACACBACACA
SCHEMBL13077087 0.90 ACACB (0.48) ACACBACACA
SCHEMBL3802101 0.89 ACACB (0.44) ACACBACACA
SCHEMBL3718493 0.88 ACACB (0.47) ACACBACACA
SCHEMBL13077047 0.83 ACACB (0.46) ACACB
SCHEMBL3720746 0.80 ACACB (0.52) ACACBACACA
SCHEMBL3716764 0.80 ACACB (0.54) ACACBACACA
SCHEMBL3721454 0.80 ACACB (0.47) ACACBACACA
SCHEMBL3720848 0.78 CYP17A1 (0.46) 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 disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed