SCHEMBL8054590

SCHEMBL8054590

COc1ccc([C@]2(C#N)C[C@H](C(=O)O)C2)cc1OC1CCCC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.84
PDE4B Q07343 20/20 0.84
PDE4C Q08493 20/20 0.84
PDE4D Q08499 20/20 0.84

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
SCHEMBL7171524 1.00 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL8054589 1.00 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL7424514 0.92 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7422057 0.92 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7861047 0.92 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL8328171 0.92 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
Cilomilast SCHEMBL13777301 0.90 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
Cilomilast SCHEMBL26372 0.90 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
Cilomilast SCHEMBL27515 0.90 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
Cilomilast SCHEMBL27516 0.90 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6118017-A Substituted-(3-cyclopentyloxy-4-methoxyphenyl)-3-phenylcyanocyclobutan-1-one SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US claimed
US-6118017-A Substituted-(3-cyclopentyloxy-4-methoxyphenyl)-3-phenylcyanocyclobutan-1-one SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed