SCHEMBL7362972

SCHEMBL7362972

COc1ccc([C@H](CNC(=O)OC(C)(C)C)CC(=O)O)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.52
PDE4A P27815 9/20 0.52
PDE4C Q08493 4/20 0.52
PDE4D Q08499 4/20 0.52
POLB P06746 1/20 0.45

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
SCHEMBL7362976 1.00 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7365297 1.00 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7371994 0.92 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL3181116 0.84 PDE4A (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL8573448 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7372000 0.84 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL7398709 0.83 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7353707 0.83 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL7371997 0.82 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL7371995 0.82 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D

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-1993007141-A1 HETEROCYCLIC 3-PHENYLPYRROLIDIN-2-ONES, THEIR PREPARATION AND USE FOR THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING TUMOR NECROSIS FACTOR PRODUCTION SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed