SCHEMBL5206181

SCHEMBL5206181

CCCc1cc(Oc2ccccc2NS(=O)(=O)c2ccc(C)cc2)ccc1OCCCOc1ccc(C(Cl)C(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
CACNA1H O95180 4/20 0.45
CACNA1B Q00975 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.42
WDR5 P61964 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7468727 0.93 CACNA1H (0.48) TDP1CACNA1HCACNA1BL3MBTL1PTGDR2
SCHEMBL5204003 0.92 TDP1 (0.47) TDP1CACNA1HCACNA1BL3MBTL1PTGDR2
SCHEMBL7459700 0.82 CACNA1H (0.47) TDP1CACNA1HCACNA1BL3MBTL1PTGDR2
SCHEMBL5205409 0.82 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL5206804 0.79 PPARG (0.68) PPARGPPARDPPARA
SCHEMBL5757928 0.78 PPARG (0.45) TDP1CACNA1HCACNA1BPPARGPPARD
SCHEMBL5204736 0.77 PPARG (0.60) PPARGPPARDPPARA
SCHEMBL5204045 0.77 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL5759835 0.76 PPARG (0.44) TDP1CACNA1HCACNA1BPPARGPPARD
SCHEMBL5204184 0.76 TDP1 (0.57) TDP1CACNA1HCACNA1BL3MBTL1PTGDR2

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