SCHEMBL5850141

SCHEMBL5850141

N#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCC(O)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.67
PDE4D Q08499 19/20 0.67
PDE4A P27815 18/20 0.67
PDE4C Q08493 18/20 0.67

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
SCHEMBL7414604 0.91 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL7414607 0.91 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL7786887 0.91 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL14074068 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL1030816 0.86 PDE4B (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL6816588 0.86 PDE4B (0.78) PDE4BPDE4DPDE4APDE4C
SCHEMBL7793438 0.86 PDE4A (0.76) PDE4BPDE4DPDE4APDE4C
SCHEMBL7793227 0.86 PDE4A (0.76) PDE4BPDE4DPDE4APDE4C
SCHEMBL7530836 0.86 PDE4A (0.76) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL1032550 0.85 PDE4B (0.63) PDE4BPDE4DPDE4APDE4C

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-7101866-B2 6,9-Difluoro-17 alpha -((2-furanylcarbonyl)oxy)-11 beta -hydroxy-16 alpha -methyl-3-oxo-androsta-1,4-diene-17 beta -carbothioic acid S-fluoromethyl ester; antiinflammatory agents for the treatment of allergic conditions GLAXO GROUP LIMITED (GB) 2006-09-05 US claimed