SCHEMBL8510408

SCHEMBL8510408

COc1ccc(C2(C=O)CCC3(CC2)OCCO3)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 18/20 0.71
▸ PDE4A P27815 14/20 0.71
▸ PDE4C Q08493 13/20 0.71
▸ PDE4D Q08499 13/20 0.71
▸ PDE3A Q14432 1/20 0.43

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
SCHEMBL7181002 0.87 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL7864287 0.85 PDE4B (0.75) PDE4BPDE4APDE4CPDE4D
SCHEMBL7423821 0.83 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7378466 0.80 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL7412995 0.80 PDE4A (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL7359794 0.80 PDE4A (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL8475654 0.80 PDE4A (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL7362543 0.79 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL7380495 0.78 PDE4A (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL6351319 0.76 PDE4B (0.59) 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
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 — — US disclosed
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