SCHEMBL3726745

SCHEMBL3726745

CCOc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3c2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.57
ACACA Q13085 6/20 0.57
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL13076810 0.88 ACACB (0.58) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL13077085 0.88 ALOX5 (0.57) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL13077221 0.87 ACACB (0.57) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL3722414 0.86 ACACB (0.56) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL3720090 0.85 ACACB (0.46) ACACBACACA
SCHEMBL3726815 0.85 ACACB (0.74) ACACBACACAAKR1C3AKR1C2
SCHEMBL13077045 0.84 ACACB (0.49) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL3720304 0.84 ACACB (0.79) ACACBACACAAKR1C3AKR1C2
SCHEMBL13077238 0.83 ACACB (0.53) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL3724675 0.81 ACACB (0.56) ACACBACACAAKR1C3AKR1C2LMNA

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