SCHEMBL6559367

SCHEMBL6559367

CCCc1cc2cc(-c3ccccc3)[nH]c2cc1OCCCNc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.47
PPARD Q03181 10/20 0.40
PPARA Q07869 9/20 0.40
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
FFAR1 O14842 3/20 0.36
PTPN11 Q06124 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL7041401 0.80 HPSE (0.43) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6932993 0.79 PPARG (0.49) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6559946 0.73 PPARD (0.72) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8666064 0.73 PPARD (0.44) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7046131 0.72 PPARG (0.73) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559176 0.71 PPARG (0.49) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8443121 0.69 KDM1A (0.43) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7039487 0.69 PPARD (0.42) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8441098 0.68 PPARG (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7040305 0.67 NR1H3 (0.81) PPARGPPARDPPARANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed
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-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
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