SCHEMBL7361572

SCHEMBL7361572

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CC2CCC1O2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.68
PDE4A P27815 15/20 0.68
PDE4B Q07343 15/20 0.68
PDE4C Q08493 15/20 0.68
CYP2B6 P20813 1/20 0.54
ABCB11 O95342 1/20 0.47
GFER P55789 1/20 0.44

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
SCHEMBL7357205 0.91 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7357173 0.88 PDE4B (0.62) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL7353445 0.87 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7361951 0.83 PDE4D (0.64) PDE4DPDE4APDE4BPDE4C
SCHEMBL7355711 0.83 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7363468 0.81 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7141179 0.81 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7363109 0.81 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
Piclamilast SCHEMBL26573 0.80 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7355308 0.80 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP2B6

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 3 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 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