SCHEMBL7353387

SCHEMBL7353387

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCC1CCC=CO1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.63
PDE4D Q08499 15/20 0.63
PDE4A P27815 7/20 0.63
PDE4C Q08493 7/20 0.63
CYP2B6 P20813 1/20 0.60
ABCB11 O95342 1/20 0.57

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
SCHEMBL7359780 0.85 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8596973 0.84 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7361164 0.84 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7352724 0.83 PDE4B (0.73) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7354089 0.80 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL7340497 0.80 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7340488 0.80 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL985307 0.79 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7356169 0.79 CA12 (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL15270505 0.79 PDE4D (1.00) PDE4BPDE4DPDE4APDE4CCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP claimed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP claimed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO claimed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP 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