SCHEMBL5209434

SCHEMBL5209434

COC(=O)[C@H](O)c1cccc(OCCCCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SMPD1 P17405 3/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5209424 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ELMNASMN1; SMN2SMPD1
SCHEMBL5209762 0.96 KDM4E (0.44) ALDH1A1KDM4ELMNASMN1; SMN2CYSLTR2
SCHEMBL5209769 0.96 KDM4E (0.44) ALDH1A1KDM4ELMNASMN1; SMN2CYSLTR2
SCHEMBL5203907 0.88 L3MBTL1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2SMPD1
SCHEMBL5203920 0.88 L3MBTL1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2SMPD1
SCHEMBL5212650 0.84 L3MBTL1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2CYSLTR2
SCHEMBL5212644 0.84 L3MBTL1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2CYSLTR2
SCHEMBL8402262 0.80 MEN1 (0.44) ALDH1A1LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL11081245 0.78 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL2871628 0.78 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2TDP1L3MBTL1

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 12 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
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