SCHEMBL8646199

SCHEMBL8646199

COc1ccc(C2(C#CC#CC3(c4ccc(OC)c(OC5CCCC5)c4)CCC(O)CC3)CCC(O)CC2)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.60
PDE4A P27815 19/20 0.60
PDE4C Q08493 19/20 0.60
PDE4D Q08499 19/20 0.60

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
SCHEMBL7793227 0.88 PDE4A (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6171292 0.88 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7793438 0.88 PDE4A (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6175086 0.88 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL6171289 0.88 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7530836 0.88 PDE4A (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL8651892 0.87 PDE4A (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL8651894 0.87 PDE4A (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL6172674 0.85 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL6172676 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5777176-A 4,4-(disubstituted)cyclohexan-1-ol dimers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-07-07 US claimed
US-5777176-A 4,4-(disubstituted)cyclohexan-1-ol dimers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-07-07 US disclosed