SCHEMBL6559359

SCHEMBL6559359

CCCc1c(OCCCCSc2ccc(Cn3cnnn3)cc2Cl)ccc2c(-c3ccccc3)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.51
PPARD Q03181 18/20 0.51
PPARA Q07869 18/20 0.51
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6560112 0.83 PPARD (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559361 0.83 PPARG (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559278 0.82 PPARG (0.43) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559260 0.80 PPARG (0.57) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934020 0.76 PPARA (0.44) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7038849 0.72 PPARD (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934237 0.71 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL7038846 0.69 PPARD (0.65) PPARGPPARDPPARANR1H2NR1H3
L-796449 SCHEMBL29729365 0.67 PPARD (1.00) PPARGPPARDPPARANR1H2NR1H3
L-796449 SCHEMBL29361589 0.67 PPARD (1.00) 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 16 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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
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-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US 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
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