SCHEMBL3720735

SCHEMBL3720735

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.48
ACACA Q13085 6/20 0.48
SCN9A Q15858 3/20 0.41
ALOX5 P09917 1/20 0.40
MMP9 P14780 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
SCHEMBL3727054 0.89 ACACB (0.61) ACACBACACA
SCHEMBL3720740 0.88 ACACB (0.47) ACACBACACASCN9AALOX5
SCHEMBL3728872 0.88 ACACB (0.49) ACACBACACAALOX5MMP9
SCHEMBL3720867 0.86 ACACB (0.49) ACACBACACASCN9A
SCHEMBL3722662 0.86 ACACB (0.47) ACACBACACASCN9AALOX5
Hydrochloric Acid SCHEMBL3722698 0.84 ACACB (0.46) ACACBACACASCN9A
SCHEMBL13076469 0.83 ACACB (0.45) ACACBACACASCN9AALOX5
SCHEMBL13076378 0.82 ACACB (0.44) ACACBACACASCN9A
SCHEMBL13076818 0.82 ACACB (0.43) ACACBACACASCN9AALOX5
SCHEMBL13076463 0.80 ACACB (0.46) ACACBACACASCN9AALOX5

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