SCHEMBL6821602

SCHEMBL6821602

COc1ccc(C2(C#N)CC=C(OC(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.66
PDE4B Q07343 20/20 0.66
PDE4C Q08493 20/20 0.66
PDE4D Q08499 20/20 0.66

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
SCHEMBL7419191 0.89 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL6129896 0.87 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL14402617 0.86 PDE4B (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL6545755 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL6545870 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6129899 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6639109 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
Bicarbonate SCHEMBL4603657 0.81 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL6546749 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6823878 0.80 PDE4B (0.79) 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
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 EP claimed