SCHEMBL7375824

SCHEMBL7375824

COC(=O)c1cc(-c2ccc(OC)c(OC3CCCC3)c2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.62
PDE4D Q08499 14/20 0.62
PDE4B Q07343 13/20 0.62
PDE4C Q08493 13/20 0.62
PDE5A O76074 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL8465685 0.90 PDE4A (0.65) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL8465687 0.87 PDE4A (0.68) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL8461881 0.84 PDE4A (0.79) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL5823060 0.81 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL8466183 0.81 PDE4A (0.74) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL8206531 0.81 PDE4A (0.80) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL4600365 0.80 PDE4A (0.72) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL8684271 0.79 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL8466031 0.79 PDE4A (0.75) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL5309884 0.78 PDE4D (0.67) PDE4APDE4DPDE4BPDE4CPDE5A

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
WO-1995027692-A1 SUBTITUTED BIPHENYL TNF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-19 WO disclosed