SCHEMBL5207342

SCHEMBL5207342

CCCc1c(O)ccc2c(CCc3ccccc3)csc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 1/20 0.34
HSD17B3 P37058 1/20 0.33
DAO P14920 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EP300 Q09472 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
KMT2A Q03164 1/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5208375 0.82 KDM4E (0.36) KDM4EALDH1A1HPGDGAAHSD17B3
SCHEMBL5208434 0.73 TP53 (0.40) KDM4ELDHALDHBALDH1A1HPGD
SCHEMBL5209680 0.72 PPARG (0.57)
SCHEMBL25444158 0.72 DAO (0.36) KDM4EALDH1A1HPGDHSD17B3DAO
SCHEMBL29714016 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDBCL2BCL2L1
SCHEMBL5210081 0.71 KDM4E (0.36) KDM4ELDHALDHBALDH1A1HPGD
SCHEMBL5207995 0.67 HSD17B3 (0.49) HSD17B3DAO
SCHEMBL5208846 0.67 PPARG (0.44) KDM4EALDH1A1HPGD
SCHEMBL9496073 0.66 ALOX15 (0.52) KDM4EALDH1A1HPGDBCL2BCL2L1
SCHEMBL502645 0.66 KDM4E (0.50) KDM4EALDH1A1HPGDBCL2BCL2L1

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 10 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-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