SCHEMBL8443232

SCHEMBL8443232

CCCc1c(OCCCCSc2ccc(Cc3nnn[nH]3)cc2Cl)ccc2[nH]c(-c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.46
PPARD Q03181 12/20 0.46
PPARA Q07869 12/20 0.46
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41

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
SCHEMBL6559361 0.84 PPARG (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8441098 0.83 PPARG (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559281 0.82 PPARG (0.43) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934021 0.77 PPARG (0.42) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559269 0.75 PPARG (0.56) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7044940 0.75 PPARA (0.58) PPARGPPARDPPARA
SCHEMBL6934241 0.71 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL8672576 0.70 PPARD (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7038849 0.69 PPARD (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7038846 0.69 PPARD (0.65) 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 10 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
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY 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
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed