SCHEMBL7323501

SCHEMBL7323501

COc1ccc([C@@](N)(CC(=O)OCc2ccccc2)NC(=O)OC2CC(C)CCC2C(C)C)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.43
PDE4A P27815 7/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX1 P07099 2/20 0.37
CYP19A1 P11511 2/20 0.37

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
SCHEMBL7322847 0.88 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DEPHX1
SCHEMBL7322794 0.88 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DEPHX1
SCHEMBL7323507 0.81 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL7322841 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL7322785 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL7323499 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL7325124 0.77 TRPV1 (0.40) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7327388 0.77 TRPV1 (0.40) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7326213 0.74 SERPINE1 (0.37) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7329516 0.74 SERPINE1 (0.37) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557408-A4 IMIDAZOLIDINONE COMPOUNDS 1993-10-27 EP disclosed
EP-0557408-A1 IMIDAZOLIDINONE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-01 EP disclosed
WO-1992007567-A1 IMIDAZOLIDINONE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-05-14 WO disclosed