SCHEMBL6938338

SCHEMBL6938338

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

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.81
PPARD Q03181 10/20 0.81
PPARG P37231 9/20 0.81
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 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
SCHEMBL6937851 0.92 PPARA (0.68) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6933774 0.90 PPARD (0.82) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6933777 0.90 PPARD (0.82) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6933330 0.90 PPARG (1.00) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6935957 0.86 PPARG (0.79) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6934261 0.85 PPARG (0.59) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6936760 0.83 PPARG (0.88) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6937493 0.83 PPARG (0.87) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6938600 0.82 PPARG (0.70) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL6938595 0.82 PPARG (0.70) PPARAPPARDPPARGNR1H2NR1H3

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
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed