SCHEMBL4566547

SCHEMBL4566547

O=C(C(=O)c1ccccc1C#CC1CC1)c1ccc(OC(F)F)c(C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.36
PDE4A P27815 11/20 0.35
PDE4B Q07343 11/20 0.35
PDE4C Q08493 11/20 0.35
PDE4D Q08499 11/20 0.35
PROKR1 Q8TCW9 1/20 0.34
REN P00797 2/20 0.34
CTSD P07339 2/20 0.34
CYP3A4 P08684 2/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
PTGES O14684 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NR1I2 O75469 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC9A1 P19634 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4304207 0.84 BACE1 (0.41) PDE4APDE4BPDE4CPDE4DPROKR1
SCHEMBL4315738 0.82 PDE4D (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL4312390 0.75 KMO (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL4305817 0.74 PDE4D (0.36) EZH2PDE4APDE4BPDE4CPDE4D
SCHEMBL4306393 0.74 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL4308458 0.73 PDE4D (0.37) EZH2PDE4APDE4BPDE4CPDE4D
SCHEMBL28872052 0.73 PDE4D (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL4306019 0.72 PDE4D (0.37) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL4313892 0.72 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL4571219 0.72 PDE4B (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed