SCHEMBL5209170

SCHEMBL5209170

CCCc1c(O)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 3/20 0.51
RCE1 Q9Y256 1/20 0.51
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
KLK7 P49862 1/20 0.49
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8262763 0.84 MAPT (0.45) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL5208434 0.79 TP53 (0.40) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL5992761 0.78 MAPT (0.55) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL6561707 0.77 GAA (0.42) ALDH1A1KDM4EHPGDHSD17B10KLK7
SCHEMBL6559297 0.76 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL13863170 0.76 MAPT (0.46) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL2870986 0.74 BACE1 (0.42) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL17431365 0.74 SMN1; SMN2 (0.56) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL5992260 0.74 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL4013334 0.74 PPARA (0.54) 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 20 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-0948327-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2006-03-08 EP disclosed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0948327-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6515015-B1 In combination with one or more known sulfonylureas, biguanides, alpha -glucosidase inhibitors, other insulin secretogogues or insulin MERCK & CO. INC. 2003-02-04 US 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
US-6160000-A Antidiabetic agents based on aryl and heteroarylacetic acids MERCK & CO., INC. (US) 2000-12-12 US disclosed
US-6090839-A REDUCING TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 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
EP-0948327-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-10-13 EP 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
WO-1998027974-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1998-07-02 WO disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed