SCHEMBL5313406

SCHEMBL5313406

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ PTPN1 P18031 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ GABRA5 P31644 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HAVCR2 Q8TDQ0 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ CSGALNACT1 Q8TDX6 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
SCHEMBL5313404 1.00 MAPT (0.37) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5334400 0.90 MAPT (0.37) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5334409 0.90 MAPT (0.37) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5316159 0.90 MAPT (0.41) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5316156 0.90 MAPT (0.41) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5310823 0.89 MAPT (0.38) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5310817 0.89 MAPT (0.38) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5312934 0.88 MAPT (0.38) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5312938 0.88 MAPT (0.38) MAPTPTPN1LMNASMN1; SMN2GABRA5
SCHEMBL5310815 0.87 PTPN1 (0.40) MAPTPTPN1LMNASMN1; SMN2GABRA5

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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