SCHEMBL5757971

SCHEMBL5757971

COc1ccc(-c2n[nH]cc2C(c2ccccc2)S(C)(=O)=O)cc1OC1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.39
APLNR P35414 2/20 0.34
PDE4A P27815 11/20 0.34
PDE4C Q08493 7/20 0.34
PDE4D Q08499 7/20 0.34
PLK1 P53350 1/20 0.32

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 0.81 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL5755717 0.79 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL5759401 0.77 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL5758807 0.75 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL3599356 0.74 PDE4B (0.41) PDE4BAPLNRPDE4APDE4CPDE4D
SCHEMBL5755076 0.74 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL5759164 0.74 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL5759793 0.73 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL5756380 0.72 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL5757544 0.71 PDE4A (0.41) 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