SCHEMBL7361929

SCHEMBL7361929

COc1ccc(C(=O)O)nc1OC1CCOC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.48
PDE4A P27815 9/20 0.48
PDE4B Q07343 9/20 0.48
PDE4C Q08493 9/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40

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
SCHEMBL70397 0.83 KDM4E (0.53) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL7361121 0.80 PDE4D (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL2905403 0.79 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL2903176 0.79 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7357361 0.76 PDE4D (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL7234015 0.74 KDM4E (0.68) KDM4EL3MBTL1
SCHEMBL17908087 0.74 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359837 0.74 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL2586121 0.74 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL7360996 0.74 PDE4D (0.72) 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