SCHEMBL13076809

SCHEMBL13076809

CCCOc1ccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.76
ACACA Q13085 14/20 0.76

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
SCHEMBL3726815 0.90 ACACB (0.74) ACACBACACA
SCHEMBL3726749 0.89 ACACB (0.63) ACACBACACA
SCHEMBL3717763 0.89 ACACB (0.76) ACACBACACA
SCHEMBL3716757 0.87 ACACB (0.77) ACACBACACA
SCHEMBL3724464 0.87 ACACB (0.60) ACACBACACA
SCHEMBL13076804 0.86 ACACB (0.65) ACACBACACA
SCHEMBL3721938 0.86 ACACB (0.59) ACACBACACA
SCHEMBL3724135 0.86 ACACB (0.65) ACACBACACA
SCHEMBL13077040 0.85 ACACB (0.78) ACACBACACA
SCHEMBL3726452 0.83 ACACB (0.59) ACACBACACA

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 1 patent. 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