SCHEMBL7058059

SCHEMBL7058059

COc1ccc([C@]2(C#N)CC[C@H](OC(=O)O)CC2)cc1O[C@@H]1CC[C@@H](O)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.63
PDE4A P27815 19/20 0.63
PDE4C Q08493 19/20 0.63
PDE4D Q08499 19/20 0.63

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
SCHEMBL7055428 1.00 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7023689 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL5703615 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL5703602 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL121198 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL6823878 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL2480497 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL7053040 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL28381093 0.81 PDE4B (0.92) PDE4BPDE4APDE4CPDE4D
SCHEMBL6820456 0.81 PDE4B (0.65) 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
EP-0749417-B1 CYANO COMPOUNDS AND PREPARATIONS THEREOF SMITHKLINE BEECHAM CORP (US) 2003-05-07 EP claimed