SCHEMBL4754514

SCHEMBL4754514

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CNR1 P21554 1/20 0.35
CTSA P10619 2/20 0.35
ELANE P08246 1/20 0.34
GUSB P08236 1/20 0.34
MGAM O43451 1/20 0.33
KCNMA1 Q12791 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CXCL12 P48061 1/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR1 P21453 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
ANO2 Q9NQ90 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4754493 0.91 PPARG (0.35) PPARGPPARDPPARAS1PR3S1PR1
SCHEMBL4754147 0.89 PPARG (0.41) PPARGPPARDPPARACNR1ACHE
SCHEMBL4754502 0.83 PPARG (0.36) PPARGPPARDPPARACNR1CTSA
SCHEMBL4754569 0.78 PPARG (0.40) PPARGPPARDPPARACNR1ALDH1A1
SCHEMBL2466955 0.76 PPARG (0.46) PPARGPPARDPPARACNR1CTSA
SCHEMBL4754491 0.73 PPARG (0.36) PPARGPPARDPPARAALDH1A1
SCHEMBL4754503 0.72 PPARG (0.41) PPARGPPARDPPARACNR1ACHE
SCHEMBL4755267 0.70 PPARG (0.42) PPARGPPARDPPARAALDH1A1POLB
SCHEMBL2466096 0.67 PPARG (0.41) PPARGPPARDPPARACNR1ELANE
SCHEMBL2463943 0.65 PPARG (0.48) PPARGPPARDPPARAACHEBACE1

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