SCHEMBL5315014

SCHEMBL5315014

CCCON=C(COc1cc(CNS(C)(=O)=O)cc(C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.42
▸ PTPN1 P18031 4/20 0.36
▸ MAPT P10636 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ PPARG P37231 2/20 0.33
▸ CSGALNACT1 Q8TDX6 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 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
SCHEMBL5315008 1.00 SCN9A (0.42) SCN9APTPN1MAPTSMN1; SMN2LMNA
SCHEMBL5310760 0.88 PTPN1 (0.39) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5310753 0.88 PTPN1 (0.39) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5309669 0.88 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5309664 0.88 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5310820 0.86 PTPN1 (0.40) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5310815 0.86 PTPN1 (0.40) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5334200 0.85 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5334207 0.85 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2LMNATP53
SCHEMBL5316162 0.83 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2LMNATP53

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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