SCHEMBL13076367

SCHEMBL13076367

CCc1cc(OC(C)C)ccc1Oc1ccc2cc(C(C)NC(C)=O)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.47
ACACA Q13085 10/20 0.47

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
SCHEMBL3724463 0.88 ACACB (0.55) ACACBACACA
SCHEMBL3724126 0.87 ACACB (0.48) ACACBACACA
SCHEMBL3726987 0.87 ACACB (0.48) ACACBACACA
SCHEMBL3728647 0.87 ACACB (0.50) ACACBACACA
SCHEMBL3727054 0.87 ACACB (0.61) ACACBACACA
SCHEMBL13076342 0.87 ACACB (0.55) ACACBACACA
SCHEMBL3723796 0.85 ACACB (0.46) ACACBACACA
SCHEMBL13076384 0.84 ACACB (0.44) ACACBACACA
SCHEMBL3720613 0.83 ACACB (0.48) ACACBACACA
SCHEMBL3727350 0.83 ACACB (0.54) 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