SCHEMBL7042280

SCHEMBL7042280

CCCCc1ccc(OCCCSc2ccc(CC(=O)OC)cc2Cl)c(CCC)c1O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.65
PPARD Q03181 10/20 0.65
PPARA Q07869 10/20 0.65
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL8439853 0.92 PPARG (0.59) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8442985 0.90 PPARG (0.58) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8443074 0.90 PPARG (0.57) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8442424 0.89 PPARG (0.59) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6939098 0.89 PPARG (0.58) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936613 0.88 PPARG (0.70) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8440918 0.88 PPARG (0.59) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8665443 0.88 PPARG (0.57) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6935505 0.87 PPARG (0.73) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937386 0.87 PPARG (0.84) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed