SCHEMBL7182040

SCHEMBL7182040

COc1ccc(C2(C#Cc3cccc(C(=O)O)c3)CC(N)C2)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.56
PDE4B Q07343 18/20 0.56
PDE4C Q08493 18/20 0.56
PDE4D Q08499 18/20 0.56

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
SCHEMBL7878662 1.00 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL7884032 0.91 PDE4B (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7884037 0.91 PDE4B (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7196891 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7874339 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7886295 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7879308 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7186001 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7379788 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6173149 0.85 PDE4A (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071645-A4 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-04-02 EP claimed
EP-1071645-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-31 EP claimed
US-6172118-B1 Compounds SMITHKLINE BEECHAM CORPORATION 2001-01-09 US claimed
WO-1999052847-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO claimed
US-6172118-B1 Compounds SMITHKLINE BEECHAM CORPORATION 2001-01-09 US disclosed