SCHEMBL3373322

SCHEMBL3373322

COc1ccc(C2=C(C)C(=O)N=N2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.55
PDE4B Q07343 15/20 0.54
PDE4C Q08493 15/20 0.54
PDE4D Q08499 15/20 0.54
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL3374398 0.84 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL3375212 0.83 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL5823060 0.79 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL7359419 0.76 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3375194 0.76 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL5818764 0.73 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL6919617 0.73 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7364691 0.73 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7696540 0.73 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL28187722 0.72 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed