SCHEMBL7318898

SCHEMBL7318898

CCOC(=O)NC1=Nc2cc(OCCC(C(N)=O)N3CCCCC3)ccc2CN1CC(=O)NCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
LMNA P02545 5/20 0.35
TP53 P04637 4/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 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
SCHEMBL7316523 0.92 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7314035 0.91 LMNA (0.35) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7312710 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL7321158 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7306170 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7318905 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7310459 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7310209 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7311017 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL7316039 0.78 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D

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