SCHEMBL6199802

SCHEMBL6199802

COC(=O)[C@H]1CC[C@@](C#N)(c2ccc(OC(F)F)c(OCC3CC3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.55
PDE4A P27815 13/20 0.55
PDE4C Q08493 13/20 0.55
PDE4D Q08499 13/20 0.55
PDE1C Q14123 1/20 0.43
ABCB11 O95342 1/20 0.43

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
SCHEMBL6197472 1.00 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5799817 1.00 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL6196833 0.90 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL6202072 0.90 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL6196837 0.90 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL6196611 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6197797 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6196613 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6546827 0.89 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546876 0.89 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420011-A1 Compounds usefulfor treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-05-19 EP claimed
EP-1380571-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-01-14 EP claimed
EP-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP claimed
US-6369108-B1 CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD). SMITHKLINE BEECHAM CORPORATION 2002-04-09 US claimed
EP-0919544-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1999-06-02 EP claimed
US-5552438-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1996-09-03 US claimed
EP-0812308-B1 METHOD FOR SYNTHESIS OF ARYL DIFLUOROMETHYL ETHERS AND THE LIKE SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 EP disclosed
EP-1420011-A1 Compounds usefulfor treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-05-19 EP disclosed
EP-1380571-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-01-14 EP disclosed
EP-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP disclosed
US-6369108-B1 CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD). SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-0919544-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1999-06-02 EP disclosed
US-5731477-A Method for synthesis of aryl difluoromethyl ethers SMITHKLINE BEECHAM CORPORATION (US) 1998-03-24 US disclosed
US-5643946-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed
US-5614540-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-03-25 US disclosed
US-5602157-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-02-11 US disclosed
US-5552438-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1996-09-03 US disclosed