SCHEMBL5310297

SCHEMBL5310297

CCCON=C(COc1ccc(OS(C)(=O)=O)c(C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.37
▸ MAPT P10636 6/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HAVCR2 Q8TDQ0 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ CXCR1 P25024 1/20 0.33
▸ TP53 P04637 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
SCHEMBL5310291 1.00 PTPN1 (0.37) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5315795 0.92 MAPT (0.39) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5315798 0.92 MAPT (0.39) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5331968 0.90 MAPT (0.39) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5331961 0.90 MAPT (0.39) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5312944 0.89 PTPN1 (0.40) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5312940 0.89 PTPN1 (0.40) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5309669 0.86 PTPN1 (0.38) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5309664 0.86 PTPN1 (0.38) PTPN1MAPTPPARGPPARALMNA
SCHEMBL5316012 0.85 PTPN11 (0.42) PTPN1MAPTPPARGPPARASMN1; SMN2

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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