SCHEMBL3724675

SCHEMBL3724675

CCOc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3c2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.56
ACACA Q13085 10/20 0.56
LMNA P02545 1/20 0.50
ALOX5 P09917 1/20 0.49
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL3721078 0.88 ACACB (0.49) ACACBACACALMNAALOX5
SCHEMBL13077068 0.87 ACACB (0.56) ACACBACACALMNAAKR1C3AKR1C2
SCHEMBL13077240 0.86 ACACB (0.56) ACACBACACAALOX5
SCHEMBL3726815 0.86 ACACB (0.74) ACACBACACAAKR1C3AKR1C2
SCHEMBL13077238 0.84 ACACB (0.53) ACACBACACALMNAALOX5AKR1C3
SCHEMBL3720746 0.83 ACACB (0.52) ACACBACACALMNAAKR1C3AKR1C2
SCHEMBL3720304 0.83 ACACB (0.79) ACACBACACAAKR1C3AKR1C2
SCHEMBL13076810 0.82 ACACB (0.58) ACACBACACALMNAAKR1C3AKR1C2
SCHEMBL3722995 0.82 ACACB (0.49) ACACBACACALMNAAKR1C3AKR1C2
SCHEMBL3726745 0.81 ACACB (0.57) ACACBACACALMNAAKR1C3AKR1C2

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