SCHEMBL6829290

SCHEMBL6829290

COc1ccc(C2(C#N)CCC(C(=O)O)(C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.77
PDE4B Q07343 20/20 0.77
PDE4C Q08493 20/20 0.77
PDE4D Q08499 20/20 0.77

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
SCHEMBL6817720 0.90 PDE4B (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7112656 0.90 PDE4B (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6820431 0.90 PDE4B (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6819663 0.90 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321654 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
Bicarbonate SCHEMBL4603657 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7197733 0.87 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
Cilomilast SCHEMBL27515 0.87 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
Cilomilast SCHEMBL26372 0.87 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
Cilomilast SCHEMBL13777301 0.87 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D

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-1200388-A4 METHOD FOR PREPARING CYCLOHEXANE CARBOXYLIC ACIDS SMITHKLINE BEECHAM CORP (US) 2004-12-29 EP disclosed
US-6740765-B1 DECARBOXYLATING DIESTER SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
EP-1200388-A1 METHOD FOR PREPARING CYCLOHEXANE CARBOXYLIC ACIDS SmithKline Beecham Corporation (US) 2002-05-02 EP disclosed
WO-2001010817-A1 METHOD FOR PREPARING CYCLOHEXANE CARBOXYLIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-15 WO disclosed