SCHEMBL3723711

SCHEMBL3723711

CC(=O)NC(C)c1ccc2cc(Oc3ccc(Oc4cncs4)cc3Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.41
ACACA Q13085 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL3724748 0.83 ACACB (0.47) ACACBACACAALOX5
SCHEMBL3719663 0.82 ACACB (0.56) ACACBACACAALOX5
SCHEMBL3798078 0.82 ALOX5 (0.57) ACACBACACAALOX5
SCHEMBL3717143 0.82 ACACB (0.46) ACACBACACACYP2C9CYP2C19
SCHEMBL3717191 0.82 ACACB (0.47) ACACBACACA
SCHEMBL3720775 0.81 ACACB (0.49) ACACBACACACYP2C9
SCHEMBL3718519 0.81 ESRRA (0.47)
SCHEMBL3727288 0.80 ACACB (0.46) ACACBACACAALOX5
SCHEMBL13077089 0.80 ACACB (0.41) ACACBACACA
SCHEMBL3721369 0.80 ALDH1A1 (0.50) 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 claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed