SCHEMBL5207995

SCHEMBL5207995

Oc1ccc2c(CCc3ccccc3)csc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.49
CYP2A6 P11509 2/20 0.42
DAO P14920 2/20 0.41
ALOX5 P09917 1/20 0.40
OPRK1 P41145 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38
SNCA P37840 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TYR P14679 1/20 0.37

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
SCHEMBL8589080 0.79 HTR2C (0.49) CYP2A6MAPT
SCHEMBL8315551 0.75 CYP2A6 (0.40) CYP2A6MAPTPPARGPPARDPPARA
SCHEMBL15057380 0.74 KEAP1 (0.56) PPARGPPARDPPARA
SCHEMBL5547495 0.74 ALOX5 (0.55) ALOX5MAPTPPARGESR1TYR
SCHEMBL5207343 0.73 BCHE (0.43) MAPTPPARGPPARDPPARA
SCHEMBL673958 0.72 CYP2A6 (0.59) CYP2A6DAOMAPT
SCHEMBL18789679 0.71 SMN1; SMN2 (0.43) ALOX5MAPTMAOBPPARGPPARD
SCHEMBL1426624 0.71 EGFR (0.60) HSD17B3ALOX5TYR
SCHEMBL29492432 0.71 TYR (0.72) HSD17B3ALOX5MAPTTYR
SCHEMBL70564 0.71 TYR (0.72) HSD17B3ALOX5MAPTTYR

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-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
CN-1282325-A Arylthiazolidinedione derivatives MERCK & CO INC (US) 2001-01-31 CN 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