SCHEMBL5759401

SCHEMBL5759401

CCS(=O)(=O)c1c[nH]nc1-c1ccc(OC)c(OC2CCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.43
PDE4A P27815 10/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AURKA O14965 1/20 0.34
NTRK1 P04629 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL5755003 0.90 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5759164 0.83 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5758807 0.80 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5756380 0.79 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5755717 0.78 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL5757544 0.78 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL5757971 0.77 PDE4B (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL5755076 0.77 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DHTT
SCHEMBL5759793 0.76 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5758859 0.76 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DHTT

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 4 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 claimed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO claimed
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