SCHEMBL7375528

SCHEMBL7375528

C#CC1(c2ccc(OC)c(OC3CCCC3)c2)CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.78
PDE4B Q07343 19/20 0.78
PDE4C Q08493 18/20 0.78
PDE4D Q08499 18/20 0.78

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
SCHEMBL6170471 0.89 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6171289 0.89 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6175086 0.89 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6171409 0.89 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6170468 0.89 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7869861 0.89 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6171292 0.89 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6172991 0.88 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7211275 0.87 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL29798131 0.87 PDE4A (0.78) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828493-A4 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-09-02 EP disclosed
EP-0799182-A4 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-OL DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-03-25 EP disclosed
EP-0828493-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-18 EP disclosed
EP-0799182-A1 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-OL DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
WO-1996038150-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-05 WO disclosed
WO-1996020157-A1 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-OL DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed