SCHEMBL5205261

SCHEMBL5205261

CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCCOc1cccc(CC(=O)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.57
PPARD Q03181 4/20 0.51
PPARA Q07869 7/20 0.50
MTNR1A P48039 2/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL5207075 0.95 PPARG (0.58) PPARGPPARDPPARA
SCHEMBL5208770 0.93 PPARD (0.58) PPARGPPARDPPARA
SCHEMBL5205823 0.92 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5203980 0.89 PPARG (0.54) PPARGPPARDPPARAMTNR1AMTNR1B
SCHEMBL5205576 0.88 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL5205154 0.87 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL6933038 0.86 PPARD (0.61) PPARGPPARDPPARA
SCHEMBL5212010 0.86 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5209046 0.85 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL5209547 0.85 PPARG (0.60) 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 11 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
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP 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
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed