SCHEMBL8037231

SCHEMBL8037231

CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.86
MAPT P10636 3/20 0.86
MEN1 O00255 2/20 0.86
KMT2A Q03164 2/20 0.86
ALOX15 P16050 1/20 0.86
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 9/20 0.45
TSHR P16473 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 3/20 0.41
ADORA3 P0DMS8 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XBP1 P17861 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Acetic Acid SCHEMBL28855875 0.98 KDM4E (0.83) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL95164 0.93 KDM4E (1.00) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL14957474 0.86 KDM4E (0.80) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL17367952 0.86 KDM4E (0.86) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL30987784 0.86 KDM4E (0.86) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL21891255 0.84 KDM4E (0.83) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL28702384 0.83 MAPT (0.59) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL28855873 0.83 KDM4E (0.80) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL14963234 0.83 KDM4E (0.80) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL434624 0.83 KDM4E (0.80) KDM4EMAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307592-A Quaternary phosphate compound and preparation method thereof 北京大学 2024-07-09 CN disclosed
CN-118290327-A Preparation method of rasidipine Chinese pharmacopoeia impurity 3 上海奥博生物医药股份有限公司 2024-07-05 CN disclosed
CN-116139924-A Hydrogen peroxide producing photocatalyst containing 1, 4-dihydropyridine 天津理工大学 2023-05-23 CN disclosed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
US-20160036065-A1 CORE-SHELL STRUCTURED ELECTROCATALYSTS FOR FUEL CELLS AND PRODUCTION METHOD THEREOF KOREA INST SCI & TECH (KR) 2016-02-04 US disclosed
US-8859458-B2 Methods of preparing electrocatalysts for fuel cells in core-shell structure and electrocatalysts KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-10-14 US disclosed
CN-101870703-B Linked disulfide propyl porphyrin and metal complex, preparation method and application thereof UNIV NANJING SCIENCE & TECH 2012-05-23 CN disclosed
CN-101870703-A Linked disulfide propyl porphyrin and metal complex, preparation method and application thereof UNIV NANJING SCIENCE & TECH 2010-10-27 CN disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed