SCHEMBL6172676

SCHEMBL6172676

COc1ccc(C2(C#Cc3ccncc3)CCC(O)CC2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.52
▸ PDE4B Q07343 20/20 0.52
▸ PDE4C Q08493 20/20 0.52
▸ PDE4D Q08499 20/20 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
SCHEMBL6172674 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7419473 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL8355323 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7333259 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7363476 0.89 PDE4B (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7371833 0.89 PDE4B (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7356387 0.88 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7356382 0.88 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL8357451 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL8357454 0.87 PDE4A (0.51) 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
EP-0794774-B1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-12 — — EP claimed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 — — WO claimed
EP-0794774-B1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-12 — — EP disclosed
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 — — EP disclosed
US-6369108-B1 CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD). SMITHKLINE BEECHAM CORPORATION 2002-04-09 — — US disclosed
US-5977122-A 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 — — US disclosed
US-5891883-A 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-04-06 — — US disclosed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 — — WO disclosed
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