SCHEMBL5206937

SCHEMBL5206937

CCCc1c(O)cccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
TTR P02766 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH1 P35367 1/20 0.42
CTNNB1 P35222 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RIPK1 Q13546 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL2867830 0.87 TP53 (0.36) LMNAMAPT
SCHEMBL27957738 0.86 TTR (0.46) DPP4TTRL3MBTL1POLBATM
SCHEMBL27963800 0.81 TTR (0.50) TTRHRH1
SCHEMBL8949933 0.81 LTB4R (0.58)
SCHEMBL5209637 0.81 PTGS2 (0.46) SLC6A4
SCHEMBL31613792 0.80 TP53 (0.55) NPSR1LMNAMAPT
SCHEMBL1400620 0.80 TP53 (0.55) NPSR1LMNAMAPT
SCHEMBL2860923 0.79 LTA4H (0.41) TTRNPSR1LMNAMAPT
SCHEMBL27575645 0.79 DPP4 (0.64) DPP4TTRHRH1CTNNB1LMNA
SCHEMBL5205615 0.78 CA12 (0.49) L3MBTL1POLBNPSR1LMNAMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107429050-B Product with reduced absorbance 沙特基础工业全球技术有限公司 2019-08-20 CN disclosed
CN-109476517-A Method for treating solvent in wastewater 株式会社LG化学 2019-03-15 CN disclosed
CN-107429050-A The product of absorbance with reduction 沙特基础工业全球技术有限公司 2017-12-01 CN disclosed
CN-102026965-B Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2014-02-26 CN disclosed
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