SCHEMBL8443121

SCHEMBL8443121

CCCc1c(OCCCNc2ccc(CC(=O)O)cc2Cl)ccc2c1CCC2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
PPARD Q03181 16/20 0.42
PPARG P37231 15/20 0.42
PPARA Q07869 15/20 0.42
NR1H2 P55055 4/20 0.41
NR1H3 Q13133 4/20 0.41
EPHX2 P34913 1/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL7039487 0.75 PPARD (0.42) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7046131 0.75 PPARG (0.73) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8444660 0.75 LTB4R (0.37) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL6559946 0.75 PPARD (0.72) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6932993 0.73 PPARG (0.49) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL7039181 0.70 PPARD (0.62) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7040305 0.70 NR1H3 (0.81) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8666064 0.70 PPARD (0.44) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559367 0.69 PPARG (0.47) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7041401 0.67 HPSE (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-A4 1999-05-06 EP claimed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP claimed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed