SCHEMBL7325121

SCHEMBL7325121

COc1ccc([C@@H](CNCc2ccc(N)cc2)NC(=O)OC2CC(C)CCC2C(C)C)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.45
SERPINE1 P05121 1/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
TRPV1 Q8NER1 1/20 0.39
EPHX1 P07099 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 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
SCHEMBL7327379 1.00 PDE4A (0.45) PDE4ASERPINE1PDE4BPDE4CPDE4D
SCHEMBL7329509 0.91 PDE4A (0.38) PDE4ASERPINE1PDE4BPDE4CPDE4D
SCHEMBL7326208 0.91 PDE4A (0.38) PDE4ASERPINE1PDE4BPDE4CPDE4D
SCHEMBL7326255 0.87 EPHX1 (0.44) PDE4APDE4BPDE4CPDE4DEPHX1
SCHEMBL7326179 0.87 EPHX1 (0.44) PDE4APDE4BPDE4CPDE4DEPHX1
SCHEMBL7318456 0.87 EPHX1 (0.44) PDE4APDE4BPDE4CPDE4DEPHX1
SCHEMBL7323499 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7322785 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7322841 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7324380 0.82 SERPINE1 (0.40) PDE4ASERPINE1PDE4BPDE4CPDE4D

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