SCHEMBL4760019

SCHEMBL4760019

COc1cc(C(=O)[C@H]2C(=O)c3cc(-c4n[nH]c(C(N)=O)n4)ccc3OC23CCNCC3)nc2c(OC)cccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 3/20 0.32
ACACB O00763 2/20 0.32

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
SCHEMBL4760214 0.89 ACACA (0.34) ACACAACACB
SCHEMBL4708996 0.88 ACACA (0.35) ACACAACACB
SCHEMBL4759789 0.86 TNKS (0.34) ACACAACACB
SCHEMBL4760480 0.85 NOTUM (0.36) ACACAACACB
SCHEMBL4708523 0.84 ACACB (0.37) ACACAACACB
SCHEMBL4707293 0.84 ACACB (0.37) ACACAACACB
SCHEMBL4708596 0.84 ACACA (0.36) ACACAACACB
SCHEMBL2362040 0.84 ACACB (0.35) ACACAACACB
SCHEMBL4412678 0.84 ACACB (0.35) ACACAACACB
SCHEMBL4760383 0.83 ACACB (0.34) ACACAACACB

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 4 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 claimed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO claimed
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