SCHEMBL7354542

SCHEMBL7354542

O=C(O)c1ccc(OC(F)F)c(OC2CC3CCC2O3)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.44
PDE4A P27815 14/20 0.44
PDE4B Q07343 14/20 0.44
PDE4C Q08493 14/20 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
SCHEMBL7363003 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7357012 0.88 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL8553907 0.85 CA12 (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL7357173 0.80 PDE4B (0.62) PDE4DPDE4APDE4BPDE4C
SCHEMBL7353023 0.80 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL7363194 0.79 MRGPRX4 (0.43)
SCHEMBL6817710 0.79 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL7358710 0.78 AR (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL6818305 0.76 PDE4D (0.69) PDE4DPDE4APDE4BPDE4C
SCHEMBL7363109 0.75 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C

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