SCHEMBL7548438

SCHEMBL7548438

COc1ccc(C2=CC(=O)OC2)cc1OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.59
PDE4B Q07343 14/20 0.54
PDE4C Q08493 14/20 0.54
PDE4D Q08499 14/20 0.54
FPR2 P25090 1/20 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
SCHEMBL6919617 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7364691 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL5823060 0.79 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL6817584 0.75 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3375194 0.73 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3261887 0.73 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7361657 0.73 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7444972 0.73 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL8766261 0.73 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7696540 0.73 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DFPR2

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
WO-1997025312-A1 NEW ROLIPRAM DERIVATIVES AS cAMP-PDE IV INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-17 WO disclosed