SCHEMBL7530836

SCHEMBL7530836

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

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.76
PDE4B Q07343 20/20 0.76
PDE4C Q08493 20/20 0.76
PDE4D Q08499 20/20 0.76

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
SCHEMBL7793438 1.00 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7793227 1.00 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321654 0.91 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL30683833 0.90 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7178035 0.89 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7786701 0.89 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL7786696 0.89 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL8057577 0.89 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7786788 0.89 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL8041955 0.89 PDE4A (0.70) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636026-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2001-12-05 EP claimed
EP-0636026-A4 1995-02-22 EP claimed
EP-0636026-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP claimed
WO-1993019751-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO 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
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
EP-0636026-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2001-12-05 EP disclosed
US-5605923-A Compounds useful for treating inflammatory diseases and inhibiting production of tumor necrosis factor SMITHKLINE BEECHAM CORPORATION (US) 1997-02-25 US disclosed