SCHEMBL6933774

SCHEMBL6933774

C=CCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(/C(CC)=N/O)c1O

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.82
PPARA Q07869 10/20 0.82
PPARG P37231 10/20 0.82
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL6933777 1.00 PPARD (0.82) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6938595 0.92 PPARG (0.70) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6938600 0.92 PPARG (0.70) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6861995 0.90 PPARG (1.00) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6862000 0.90 PPARG (1.00) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6938338 0.90 PPARA (0.81) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6936607 0.87 PPARG (0.80) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6936610 0.87 PPARG (0.80) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6936047 0.86 PPARG (0.62) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6938540 0.85 PPARG (0.89) PPARDPPARAPPARGNR1H2NR1H3

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