SCHEMBL5703615

SCHEMBL5703615

COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCC(O)C1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.79
PDE4A P27815 19/20 0.79
PDE4C Q08493 19/20 0.79
PDE4D Q08499 19/20 0.79

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
SCHEMBL5703602 1.00 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL7023689 1.00 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL28381093 0.93 PDE4B (0.92) PDE4BPDE4APDE4CPDE4D
SCHEMBL7055428 0.89 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7058059 0.89 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL13777301 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL26372 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL27515 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL27516 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL5975855 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749417-B1 CYANO COMPOUNDS AND PREPARATIONS THEREOF SMITHKLINE BEECHAM CORP (US) 2003-05-07 EP claimed
US-6013827-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-01-11 US claimed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
EP-1279662-B1 Process for preparing phenylcyclohexan-1-ylcarboxylic acids SMITHKLINE BEECHAM CORP (US) 2006-08-16 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
EP-0749417-B1 CYANO COMPOUNDS AND PREPARATIONS THEREOF SMITHKLINE BEECHAM CORP (US) 2003-05-07 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
EP-1279662-A1 Process for preparing phenylcyclohexan-1-ylcarboxylic acids SmithKline Beecham Corporation (US) 2003-01-29 EP disclosed
US-6013827-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-01-11 US disclosed
EP-0749417-A4 CYANO COMPOUNDS AND PREPARATIONS THEREOF SMITHKLINE BEECHAM CORP (US) 1999-04-14 EP disclosed
EP-0749417-A1 CYANO COMPOUNDS AND PREPARATIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1996-12-27 EP disclosed
WO-1995024381-A1 CYANO COMPOUNDS AND PREPARATIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1995-09-14 WO disclosed