SCHEMBL5756897

SCHEMBL5756897

COc1ccc(-c2cc(CC3CCCCC3)n[nH]2)cc1OC1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.41
PDE4A P27815 11/20 0.38
PDE4C Q08493 9/20 0.37
PDE4D Q08499 9/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 1/20 0.35
PTPN1 P18031 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
SCHEMBL5756380 0.81 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5184733 0.80 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3604579 0.74 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL3608991 0.73 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5793483 0.72 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL3605765 0.72 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL5758807 0.71 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5759164 0.71 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3607474 0.70 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL3596979 0.69 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D

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