SCHEMBL7409795

SCHEMBL7409795

COc1ccc(C2(C#Cc3cccc(C(=O)O)c3)CCC3(CC2)OCCO3)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.52
PDE4B Q07343 19/20 0.52
PDE4C Q08493 19/20 0.52
PDE4D Q08499 19/20 0.52

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
SCHEMBL8531663 0.95 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7413457 0.92 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7379788 0.87 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL8508309 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL8511338 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7182040 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL7878662 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL8509453 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL6173149 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7599286 0.82 PDE4A (0.49) 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
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 US disclosed
EP-0800393-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-05-06 EP disclosed
EP-0800393-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
WO-1996019995-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed