SCHEMBL3798571

SCHEMBL3798571

CC(C)Oc1ccc(Oc2ccc3cc(C(C)NC(=O)CNC(=O)OC(C)(C)C)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.41
ACACA Q13085 5/20 0.41
SCN9A Q15858 4/20 0.40
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
F7 P08709 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL13076469 0.85 ACACB (0.45) ACACBACACASCN9A
SCHEMBL3720740 0.84 ACACB (0.47) ACACBACACASCN9A
SCHEMBL3722662 0.84 ACACB (0.47) ACACBACACASCN9A
SCHEMBL3720867 0.84 ACACB (0.49) ACACBACACASCN9A
Hydrochloric Acid SCHEMBL3722698 0.82 ACACB (0.46) ACACBACACASCN9A
SCHEMBL3727054 0.81 ACACB (0.61) ACACBACACA
SCHEMBL13076378 0.80 ACACB (0.44) ACACBACACASCN9AALDH1A1MAPT
SCHEMBL3728872 0.80 ACACB (0.49) ACACBACACA
SCHEMBL3720735 0.79 ACACB (0.48) ACACBACACASCN9A
SCHEMBL13076818 0.78 ACACB (0.43) ACACBACACASCN9ASCN10A

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