SCHEMBL6757764

SCHEMBL6757764

COC(=O)N1C[C@@H](c2ccc(OC)c(OCC3CC3)c2)[C@](C)(CO)C1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.73
PDE4A P27815 11/20 0.73
PDE4C Q08493 11/20 0.73
PDE4D Q08499 11/20 0.73
PDE7A Q13946 1/20 0.53

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
SCHEMBL14576434 0.86 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL4527711 0.86 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355274 0.85 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5359249 0.85 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL14576374 0.85 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5349267 0.85 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5756677 0.83 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5756669 0.83 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5360738 0.78 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5362250 0.77 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE7A

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-6716871-B2 OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES ICOS CORPORATION 2004-04-06 US disclosed