SCHEMBL7419191

SCHEMBL7419191

COC1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.71
PDE4B Q07343 20/20 0.71
PDE4C Q08493 20/20 0.71
PDE4D Q08499 20/20 0.71

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
SCHEMBL8574237 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL14402617 0.90 PDE4B (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL6821602 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6129899 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6545870 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321654 0.85 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL6129896 0.85 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL6545755 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL30683833 0.84 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL5495203 0.83 PDE4A (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449687-A 4-phenyl-1,2-cyclohexyl derivatives and anti-inflammatory compositions and methods thereof SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US claimed
EP-0633771-A4 COMPOUNDS. 1995-02-22 EP claimed
EP-0633771-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-18 EP claimed
WO-1993019720-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO claimed
US-5449687-A 4-phenyl-1,2-cyclohexyl derivatives and anti-inflammatory compositions and methods thereof SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US disclosed
EP-0633771-A4 COMPOUNDS. 1995-02-22 EP disclosed
EP-0633771-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-18 EP disclosed
WO-1993019720-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed