SCHEMBL6862980

SCHEMBL6862980

COc1ccc(C(=O)Cc2c(Cl)cccc2Cl)cc1OC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.66
PDE4D Q08499 14/20 0.66
PDE4A P27815 10/20 0.66
PDE4C Q08493 10/20 0.66
PDE5A O76074 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL1028931 0.89 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6862920 0.87 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7352641 0.86 PDE4D (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL6865048 0.82 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL5565347 0.82 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6585967 0.80 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7352455 0.80 PDE4D (0.70) PDE4BPDE4DPDE4APDE4C
SCHEMBL6858785 0.80 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7338641 0.80 PDE4D (1.00) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL131830 0.79 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652868-B1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2004-11-10 EP claimed
EP-0652868-B1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2004-11-10 EP disclosed
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed