SCHEMBL4754502

SCHEMBL4754502

COc1cc(Cl)ccc1-c1nc(C(CC=O)c2ccc(O)c(C)c2)c(C(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CTSA P10619 7/20 0.35
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
ANO2 Q9NQ90 1/20 0.33
GUSB P08236 1/20 0.33
ELANE P08246 1/20 0.32
CNR1 P21554 1/20 0.32
MGAM O43451 1/20 0.32
FDFT1 P37268 3/20 0.32
CRHR1 P34998 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL4754491 0.91 PPARG (0.36) PPARGPPARDPPARA
SCHEMBL4754503 0.89 PPARG (0.41) PPARGPPARDPPARAACHEBACE1
SCHEMBL4754514 0.83 PPARG (0.36) PPARGPPARDPPARACTSAACHE
SCHEMBL2466955 0.74 PPARG (0.46) PPARGPPARDPPARACTSACNR1
SCHEMBL4754493 0.73 PPARG (0.35) PPARGPPARDPPARA
SCHEMBL4754147 0.72 PPARG (0.41) PPARGPPARDPPARAACHEBACE1
SCHEMBL2466096 0.68 PPARG (0.41) PPARGPPARDPPARAANO1ANO2
SCHEMBL2463943 0.66 PPARG (0.48) PPARGPPARDPPARAACHEBACE1
SCHEMBL4327841 0.64 ERN1 (0.36) PPARGPPARDPPARAHSP90AA1
SCHEMBL2463427 0.63 PPARG (0.46) PPARGPPARDPPARA

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-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed