SCHEMBL6865440

SCHEMBL6865440

COc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OCC=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.42
PDE4D Q08499 8/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
NFKB1 P19838 1/20 0.39
TRPA1 O75762 1/20 0.38
MTNR1A P48039 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
PTGES O14684 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL14164833 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CNFKB1
SCHEMBL1616464 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CNFKB1
SCHEMBL15753781 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CNFKB1
SCHEMBL30362076 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CNFKB1
SCHEMBL3550785 0.85 PDE4D (0.48) PDE4BPDE4DPDE4APDE4CNFKB1
SCHEMBL6858821 0.81 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CNFKB1
SCHEMBL14458154 0.80 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL15763184 0.80 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL7360805 0.80 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CNFKB1
SCHEMBL15790498 0.79 PDE4D (0.49) PDE4BPDE4DPDE4APDE4CNFKB1

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 12 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 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