SCHEMBL7378155

SCHEMBL7378155

COc1ccc(C2(C#Cc3ccc(N)cc3)CCC(=O)CC2)cc1OC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.68
PDE4B Q07343 20/20 0.68
PDE4C Q08493 20/20 0.68
PDE4D Q08499 20/20 0.68

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
SCHEMBL7368647 0.90 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8511161 0.90 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL7377710 0.90 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7372487 0.88 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7375913 0.88 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL8510031 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL8510024 0.87 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7373876 0.87 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL8568210 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7514013 0.85 PDE4B (0.61) 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
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 US claimed
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