SCHEMBL6560026

SCHEMBL6560026

CCCc1c(OCCCNc2cccc(C(C)(C)C(=O)O)c2)ccc2c(-c3ccccc3)csc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.50
PPARD Q03181 13/20 0.50
PPARA Q07869 13/20 0.50
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
LTB4R Q15722 5/20 0.38
LTB4R2 Q9NPC1 5/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6559223 0.91 PPARA (0.50) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7043006 0.81 PPARA (0.55) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7043010 0.81 PPARG (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560086 0.80 PPARD (0.59) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6561689 0.72 PPARA (0.62) PPARGPPARDPPARA
SCHEMBL7040314 0.72 PPARA (0.55) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7040316 0.71 PPARA (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559159 0.71 PPARA (0.63) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560614 0.67 PPARD (0.75) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559323 0.66 PPARG (0.59) 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