SCHEMBL7356302

SCHEMBL7356302

COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1OC1CC2COC1C2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.63
PDE4A P27815 9/20 0.63
PDE4B Q07343 9/20 0.63
PDE4C Q08493 9/20 0.63
CYP2B6 P20813 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7355711 0.91 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7357205 0.83 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7359665 0.82 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL8556184 0.80 PDE4B (0.53) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL7354798 0.78 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7338641 0.77 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7360234 0.77 PDE4D (0.76) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361572 0.74 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7141179 0.73 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7353395 0.72 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPDE5A

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