SCHEMBL7380495

SCHEMBL7380495

COc1ccc(C2(/C=C/c3cccc(C#N)c3)CCC3(CC2)OCCO3)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.44
▸ PDE4B Q07343 20/20 0.44
▸ PDE4C Q08493 20/20 0.44
▸ PDE4D Q08499 20/20 0.44

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
SCHEMBL8510408 0.78 PDE4B (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL7412995 0.76 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL8508309 0.72 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7378466 0.72 PDE4B (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7409795 0.69 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL4940189 0.69 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL8509453 0.69 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7413457 0.69 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7445077 0.69 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7599286 0.68 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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