SCHEMBL8532141

SCHEMBL8532141

COC(=O)c1ccc(C#CC2(c3ccc(OC)c(OC4CCCC4)c3)CCC3(CC2)OCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.49
PDE4B Q07343 15/20 0.49
PDE4C Q08493 15/20 0.49
PDE4D Q08499 15/20 0.49
PDE5A O76074 1/20 0.42

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
SCHEMBL8511338 0.95 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7376075 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8510024 0.87 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7413457 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL8531663 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL8385725 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7409795 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL8507963 0.80 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7599286 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7408401 0.79 PDE4A (0.47) 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 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