SCHEMBL8440534

SCHEMBL8440534

CCCc1cc(CCC=NO)ccc1OCCCSc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.59
PPARG P37231 10/20 0.59
PPARA Q07869 9/20 0.59
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
ATM Q13315 1/20 0.35
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7659761 0.87 PPARD (0.70) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8443096 0.85 PPARD (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8439533 0.84 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936087 0.83 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936091 0.83 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6934158 0.82 PPARD (0.66) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931405 0.82 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8443731 0.81 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931450 0.81 PPARG (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7074267 0.81 PPARA (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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