SCHEMBL5755076

SCHEMBL5755076

COc1ccc(-c2n[nH]cc2Cc2ccccc2C)cc1OC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.44
EPHX2 P34913 1/20 0.37
PDE4A P27815 3/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CNR2 P34972 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL5755717 0.90 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL5758291 0.89 PDE4B (0.34) PDE4BPDE4APDE4DALDH1A1
SCHEMBL5758859 0.87 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5757570 0.86 EPHX2 (0.50) PDE4BEPHX2PDE4APDE4CPDE4D
SCHEMBL5757544 0.86 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL5759793 0.85 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5759164 0.83 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5756380 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5758807 0.78 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5755003 0.77 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed