SCHEMBL3728872

SCHEMBL3728872

CC(C)Oc1ccc(Oc2ccc3cc(C(C)NC(N)=O)ccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.49
ACACA Q13085 11/20 0.49
GLA P06280 1/20 0.41
ALOX5 P09917 1/20 0.41
MMP9 P14780 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
SCHEMBL3727054 0.90 ACACB (0.61) ACACBACACA
SCHEMBL3720735 0.88 ACACB (0.48) ACACBACACAALOX5MMP9
Hydrochloric Acid SCHEMBL3722698 0.87 ACACB (0.46) ACACBACACA
SCHEMBL3720740 0.87 ACACB (0.47) ACACBACACAALOX5
SCHEMBL3722662 0.87 ACACB (0.47) ACACBACACAALOX5
SCHEMBL3720867 0.87 ACACB (0.49) ACACBACACA
SCHEMBL13076469 0.84 ACACB (0.45) ACACBACACAALOX5
SCHEMBL13076378 0.83 ACACB (0.44) ACACBACACA
SCHEMBL13076818 0.83 ACACB (0.43) ACACBACACAALOX5
SCHEMBL3727673 0.81 ACACB (0.48) 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 3 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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed