SCHEMBL4709974

SCHEMBL4709974

COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c[c]ccc2O3)nc2c(OC)cccc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.48
ACACA Q13085 1/20 0.48

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
SCHEMBL1809685 0.89 ACACB (0.51) ACACBACACA
SCHEMBL28355579 0.88 ACACB (0.50) ACACBACACA
SCHEMBL1810137 0.86 ACACB (0.49) ACACBACACA
SCHEMBL1814679 0.86 ACACB (0.49) ACACBACACA
SCHEMBL1812747 0.86 HDAC3 (0.51) ACACBACACA
SCHEMBL1813906 0.85 ACACB (0.47) ACACBACACA
SCHEMBL1813893 0.85 ACACB (0.52) ACACBACACA
SCHEMBL12657999 0.84 HDAC3 (0.50) ACACBACACA
Hydrochloric Acid SCHEMBL1809640 0.84 ACACB (0.48) ACACBACACA
SCHEMBL1812715 0.83 ACACB (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910375-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed
WO-2007011811-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed