SCHEMBL6936087

SCHEMBL6936087

CCCc1cc(/C(CC)=N/O)ccc1OCCCSc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.71
PPARG P37231 9/20 0.71
PPARA Q07869 9/20 0.71
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
LTB4R Q15722 3/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
PLA2G2D Q9UNK4 1/20 0.34

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
SCHEMBL6936091 1.00 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936742 0.92 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936744 0.92 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931405 0.89 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7074267 0.86 PPARA (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936329 0.85 PPARG (0.53) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6934429 0.83 PPARA (0.58) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6862000 0.83 PPARG (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6861995 0.83 PPARG (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8440534 0.83 PPARD (0.59) PPARDPPARGPPARANR1H2NR1H3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed