SCHEMBL5309679

SCHEMBL5309679

COc1ccc(CCl)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.56
PDE4A P27815 12/20 0.55
RECQL P46063 1/20 0.53
PDE4C Q08493 6/20 0.51
PDE4D Q08499 6/20 0.51
CSNK2A1 P68400 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL14244189 0.94 RECQL (0.60) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL3976102 0.86 PDE4B (0.57) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL2958828 0.84 RECQL (0.60) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL5703607 0.84 PDE4B (0.56) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL2956981 0.84 CSNK2A1 (0.66) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL5610571 0.82 RECQL (0.61) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL7375826 0.82 PDE4B (0.57) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL7353001 0.82 KDM4E (0.66) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL13317191 0.82 RECQL (0.61) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL7023339 0.81 PDE4B (0.55) PDE4BPDE4ARECQLPDE4CPDE4D

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
CN-1301982-C Compounds and methods for preparing substituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2007-02-28 CN disclosed
EP-1524268-B1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2007-01-17 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
CN-1854131-A Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2006-11-01 CN disclosed
EP-1295869-B1 Compounds and method for preparing substituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2005-07-27 EP disclosed
US-6919455-B2 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2005-07-19 US disclosed
EP-1524268-A1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SmithKline Beecham Corporation (US) 2005-04-20 EP disclosed
CN-1192025-C Method for preparing substituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2005-03-09 CN disclosed
EP-1043930-A4 METHOD FOR PREPARING SUBSTITUTED 4-PHENYL-4-CYANOCYCLOHEXANOIC ACIDS SMITHKLINE BEECHAM CORP (US) 2004-09-15 EP disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed
EP-0796093-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-09-24 EP disclosed
EP-0640070-B1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-09-10 EP disclosed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
EP-0766670-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-09 EP disclosed
US-5591776-A Pheynl or benzyl-substituted rolipram-based compounds for and method of inhibiting phosphodiesterase IV EURO-CELTIQUE, S.A. (LU) 1997-01-07 US disclosed
WO-1996021435-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-07-18 WO disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed
WO-1995035284-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO disclosed