SCHEMBL6559339

SCHEMBL6559339

CCCc1c(OCCCCNc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.50
PPARD Q03181 13/20 0.50
PPARA Q07869 12/20 0.50
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
GRM2 Q14416 1/20 0.43
FFAR1 O14842 4/20 0.42
FFAR4 Q5NUL3 3/20 0.42
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL7044493 0.85 PPARG (0.56) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559350 0.82 GRM2 (0.40) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7044491 0.81 PPARG (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560646 0.78 PPARG (0.61) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6559345 0.78 GRM2 (0.40) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559377 0.77 PPARG (0.65) PPARGPPARDPPARALTB4R
SCHEMBL7038241 0.74 PPARD (0.61) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560112 0.74 PPARD (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560086 0.73 PPARD (0.59) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560654 0.73 PPARD (0.66) 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