SCHEMBL5285167

SCHEMBL5285167

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.49
ADRB1 P08588 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KYNU Q16719 1/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL5285160 1.00 HIF1A (0.49) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL3682275 0.89 KMT2A (0.53) LMNAKMT2APTGS1PTGS2MEN1
SCHEMBL5212783 0.83 KYNU (0.49) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL5212789 0.83 KYNU (0.49) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL7806911 0.82 PTGS1 (0.62) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL1818192 0.82 PTGS1 (0.62) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL9019965 0.82 KMT2A (0.47) LMNAKMT2APTGS1PTGS2MEN1
SCHEMBL9158042 0.82 KMT2A (0.47) ADRB1ADRB2ADRB3TSHRKMT2A
SCHEMBL9432428 0.82 KMT2A (0.47) LMNAKMT2APTGS1PTGS2MEN1
SCHEMBL9158035 0.82 KMT2A (0.47) ADRB1ADRB2ADRB3TSHRKMT2A

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 16 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
EP-0533695-B1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER (US) 1994-10-05 EP disclosed
US-5322847-A Inhibit platelet activating factor, block leukotriene D4 receptors PFIZER INC. (US) 1994-06-21 US disclosed
EP-0533695-A1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY. PFIZER (US) 1993-03-31 EP disclosed
WO-1991017163-A1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER INC. (US) 1991-11-14 WO disclosed