SCHEMBL7361375

SCHEMBL7361375

Cc1ccc(C(=O)O)cc1OC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.52
PDE4A P27815 9/20 0.52
PDE4B Q07343 9/20 0.52
PDE4C Q08493 9/20 0.52
KAT2B Q92831 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
OPRK1 P41145 1/20 0.44
SYK P43405 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL23792949 0.92 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C
SCHEMBL29735305 0.92 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C
SCHEMBL24572367 0.92 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C
SCHEMBL23792967 0.90 PDE4B (0.49) PDE4DPDE4APDE4BPDE4COPRK1
SCHEMBL7420849 0.87 PDE4B (0.57) PDE4DPDE4APDE4BPDE4COPRK1
SCHEMBL7427328 0.86 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL23792952 0.85 PDE4B (0.56) PDE4DPDE4APDE4BPDE4COPRK1
SCHEMBL15595689 0.84 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL7356965 0.84 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361371 0.82 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKAT2B

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