SCHEMBL5756380

SCHEMBL5756380

COc1ccc(-c2n[nH]cc2CC2CCCCC2)cc1OC1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.41
PDE4A P27815 11/20 0.38
PDE4C Q08493 9/20 0.36
PDE4D Q08499 9/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTPN1 P18031 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 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
SCHEMBL5759164 0.86 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5755717 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL5758807 0.82 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5757544 0.82 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DS1PR1
SCHEMBL5755076 0.82 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5756897 0.81 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5759793 0.80 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5758859 0.80 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5759401 0.79 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5755003 0.76 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 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