SCHEMBL3720768

SCHEMBL3720768

CC(=O)NC(C)c1ccc2nc(Oc3ccc(SC(C)C)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.45
ACACA Q13085 14/20 0.45
ALOX5 P09917 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
SCHEMBL3717454 0.86 ACACB (0.37) ACACBACACA
SCHEMBL3727673 0.86 ACACB (0.48) ACACBACACAALOX5
SCHEMBL3727054 0.86 ACACB (0.61) ACACBACACA
SCHEMBL3802819 0.85 ACACB (0.37) ACACBACACAALOX5
SCHEMBL3724123 0.85 ACACB (0.40) ACACBACACA
SCHEMBL3727572 0.85 ACACB (0.48) ACACBACACA
SCHEMBL3720168 0.85 HTT (0.49) ACACBACACA
SCHEMBL13076463 0.84 ACACB (0.46) ACACBACACAALOX5
SCHEMBL3717718 0.84 PDE4B (0.48) ACACBACACAALOX5
SCHEMBL3723775 0.84 ACACB (0.46) ACACBACACAALOX5

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