SCHEMBL8319617

SCHEMBL8319617

COc1cc(OC)cc(C(=CN)c2ccc(N)c(OC)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.59
PDE4B Q07343 17/20 0.59
PDE4C Q08493 17/20 0.59
PDE4D Q08499 17/20 0.59
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NQO2 P16083 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
SCHEMBL8315838 0.88 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8319800 0.88 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL8269865 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4816600 0.84 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816595 0.84 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL8319803 0.84 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL8268706 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL8321025 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13986032 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL8271316 0.80 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1

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-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed