SCHEMBL5209686

SCHEMBL5209686

CCCc1c(OCCCOc2ccccc2CC(=O)O)ccc2c(CCc3ccccc3)csc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.56
PPARD Q03181 10/20 0.56
PPARA Q07869 9/20 0.56
LTB4R Q15722 4/20 0.45
LTB4R2 Q9NPC1 4/20 0.45
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
SCHEMBL5209680 0.89 PPARG (0.57) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL5208530 0.82 PPARD (0.49) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL5208981 0.79 PPARG (0.51) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6559159 0.74 PPARA (0.63) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7459824 0.73 PDE5A (0.35) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7531877 0.73 PPARG (0.38) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7523011 0.73 PPARG (0.38) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7466873 0.73 PPARG (0.45) PPARGPPARDPPARA
SCHEMBL5211380 0.72 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL5204448 0.72 PPARG (0.40) PPARGPPARDPPARA

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-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed