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SCHEMBL7371995

SCHEMBL7371995

COc1ccc(C(CC(=O)O)C(C)NC(=O)OC(C)(C)C)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.52
▸ PDE4A P27815 10/20 0.52
▸ PDE4C Q08493 6/20 0.52
▸ PDE4D Q08499 6/20 0.52
▸ HIF1A Q16665 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44

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 0.82 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7362972 0.82 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7365297 0.82 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7372000 0.81 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL8573448 0.78 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL3181116 0.77 PDE4A (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6228583 0.77 PDE4A (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL7420235 0.76 PDE4A (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL7371994 0.76 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL7398709 0.76 PDE4A (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