SCHEMBL5203907

SCHEMBL5203907

CCOC(=O)C(O)c1cccc(OCCCCBr)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.45
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
ALOX5 P09917 1/20 0.44
CACNA1B Q00975 1/20 0.42
SMPD1 P17405 2/20 0.42

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
SCHEMBL5203920 1.00 L3MBTL1 (0.51) L3MBTL1MAPK1TDP1TSHRALDH1A1
SCHEMBL5212650 0.96 L3MBTL1 (0.51) L3MBTL1MAPK1TDP1TSHRALDH1A1
SCHEMBL5212644 0.96 L3MBTL1 (0.51) L3MBTL1MAPK1TDP1TSHRALDH1A1
SCHEMBL5209434 0.88 ALDH1A1 (0.46) L3MBTL1MAPK1TDP1TSHRALDH1A1
SCHEMBL5209424 0.88 ALDH1A1 (0.46) L3MBTL1MAPK1TDP1TSHRALDH1A1
SCHEMBL5209769 0.84 KDM4E (0.44) L3MBTL1MAPK1TDP1TSHRALDH1A1
SCHEMBL5209762 0.84 KDM4E (0.44) L3MBTL1MAPK1TDP1TSHRALDH1A1
SCHEMBL5211013 0.84 TDP1 (0.51) L3MBTL1MAPK1TDP1TSHRSMN1; SMN2
SCHEMBL5211008 0.84 TDP1 (0.51) L3MBTL1MAPK1TDP1TSHRSMN1; SMN2
SCHEMBL5205479 0.80 TDP1 (0.52) L3MBTL1MAPK1TDP1TSHRALDH1A1

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