SCHEMBL7310209

SCHEMBL7310209

CCNC(=O)NC1=Nc2cc(OCCC(C(N)=O)N3CCCCC3)ccc2CN1CC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.39
PDE4B Q07343 6/20 0.39
PDE4C Q08493 6/20 0.39
PDE4D Q08499 6/20 0.39
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PPARG P37231 2/20 0.33
MET P08581 1/20 0.32
ADAM33 Q9BZ11 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.31

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
SCHEMBL7311017 0.92 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DITGB3
SCHEMBL7312710 0.91 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DITGB3
SCHEMBL7314035 0.90 LMNA (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7316975 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317311 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310210 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DITGB3
SCHEMBL7316039 0.84 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL7318898 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL7316523 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL7307197 0.80 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPPARG

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
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed