SCHEMBL8269869

SCHEMBL8269869

CCOc1cc(C(=CN)c2ccc(OC)c(N)c2)ccc1OC

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.82
PDE4B Q07343 15/20 0.82
PDE4C Q08493 15/20 0.82
PDE4D Q08499 15/20 0.82
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CREBBP Q92793 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8268753 0.93 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL8268694 0.91 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4823421 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4823414 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL5205594 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL8320190 0.88 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8322268 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL8268724 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL8270581 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL8268720 0.85 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAPK1

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-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed