SCHEMBL27740487

SCHEMBL27740487

CCCCc1cccc(CCc2ccc(OC(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.51
DAO P14920 2/20 0.45
PPARA Q07869 4/20 0.41
PPARG P37231 4/20 0.41
CETP P11597 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G4A P47712 1/20 0.41
XIAP P98170 1/20 0.40

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
SCHEMBL14378253 0.89 PPARA (0.47) BACE1DAOPPARAPPARGLMNA
SCHEMBL14378255 0.86 PPARA (0.52) BACE1DAOPPARAPPARG
SCHEMBL8990952 0.86 RARB (0.46) BACE1DAOPPARA
SCHEMBL8990685 0.86 RARB (0.46) BACE1DAOPPARA
SCHEMBL14201366 0.85 BACE1 (0.49) BACE1PPARAPPARGMRGPRX4LMNA
SCHEMBL9061224 0.84 RARB (0.47) BACE1DAOPPARA
SCHEMBL11090033 0.84 PPARA (0.52) BACE1DAOPPARALMNA
SCHEMBL27740478 0.82 BACE1 (0.52) BACE1DAOPPARAPPARGMRGPRX4
SCHEMBL21234441 0.82 PPARA (0.55) PPARALMNA
SCHEMBL3456499 0.82 BACE1 (0.47) BACE1PPARAPPARGMRGPRX4LMNA

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
CN-101273018-A Amino-5- [4- (difluoromethoxy) phenyl] -5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) WYETH CORP (US) 2008-09-24 CN disclosed