SCHEMBL5314079

SCHEMBL5314079

CCCO/N=C(\COc1cccc(C(C)C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ PTPN1 P18031 4/20 0.38
▸ CSGALNACT1 Q8TDX6 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ PTGS1 P23219 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HAVCR2 Q8TDQ0 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PRKX P51817 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35

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
SCHEMBL5314082 1.00 MAPT (0.40) MAPTTP53SMN1; SMN2PTGS2PTPN1
SCHEMBL5313731 0.92 MAPT (0.39) MAPTTP53SMN1; SMN2PTPN1CSGALNACT1
SCHEMBL5313729 0.92 MAPT (0.39) MAPTTP53SMN1; SMN2PTPN1CSGALNACT1
SCHEMBL5311831 0.86 MAPT (0.47) MAPTTP53SMN1; SMN2PTPN1PPARG
SCHEMBL5311834 0.86 MAPT (0.47) MAPTTP53SMN1; SMN2PTPN1PPARG
SCHEMBL14530969 0.86 RAB9A (0.45) MAPTTP53SMN1; SMN2PPARGPPARA
SCHEMBL5799336 0.84 PPARG (0.50) MAPTTP53SMN1; SMN2PPARGPPARA
SCHEMBL5799421 0.84 PPARG (0.50) MAPTTP53SMN1; SMN2PPARGPPARA
SCHEMBL5313697 0.83 MAPT (0.45) MAPTTP53SMN1; SMN2PTPN1MEN1
SCHEMBL5313691 0.83 MAPT (0.45) MAPTTP53SMN1; SMN2PTPN1MEN1

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-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 — — WO disclosed
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