SCHEMBL1804142

SCHEMBL1804142

O=C(CCc1ccc2ccc3cccc4ccc1c2c34)ON1C(=O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
FAAH O00519 1/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PSMB8 P28062 2/20 0.37
PSMB5 P28074 1/20 0.37
HTT P42858 1/20 0.37
ITPR1 Q14643 1/20 0.34
CDYL Q9Y232 1/20 0.34
MTNR1A P48039 3/20 0.33
MAPT P10636 1/20 0.33
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33

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
SCHEMBL29367875 0.94 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1FAAH
SCHEMBL388103 0.94 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1FAAH
SCHEMBL19328246 0.92 KMT2A (0.55) KMT2AMEN1KDM4EALDH1A1FAAH
SCHEMBL23824231 0.91 KMT2A (0.54) KMT2AMEN1KDM4EALDH1A1FAAH
SCHEMBL3491065 0.91 KMT2A (0.54) KMT2AMEN1KDM4EALDH1A1FAAH
SCHEMBL1802924 0.88 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1FAAH
Butyric Acid SCHEMBL28642804 0.87 KMT2A (0.59) KMT2AMEN1KDM4EALDH1A1FAAH
SCHEMBL21664524 0.83 CDYL (0.49) KDM4ECYP1A2PSMB8PSMB5CDYL
SCHEMBL2958220 0.83 KMT2A (0.44) KMT2AMEN1KDM4EALDH1A1FAAH
SCHEMBL21972140 0.83 MEN1 (0.44) KMT2AMEN1ALDH1A1FAAHCYP1A2

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
US-20080138908-A1 Mass Spectrometry THE NOGUCHI INSTITUTE (JP) 2008-06-12 US claimed
EP-2752659-B1 MALDI MASS ANALYSIS METHOD THE NOGUCHI INST (JP) 2017-10-18 EP disclosed
US-20140206094-A1 MALDI MASS SPECTROMETRY METHOD THE NOGUCHI INSTITUTE (JP) 2014-07-24 US disclosed
EP-2752659-A1 MALDI MASS ANALYSIS METHOD The Noguchi Institute (JP) 2014-07-09 EP disclosed
EP-2194146-B1 A molecular beacon and a method for its synthesis JAPAN SCIENCE & TECH AGENCY (JP) 2011-12-14 EP disclosed
US-7951603-B2 Bonding a labeling polycyclic compound to oxidized oligosaccharide for rapidly obtaining structural information; 1-pyrenebutanoic acid hydrazide, aminopyrene, 1-pyrenemethylamine THE NOGUCHI INSTITUTE (JP) 2011-05-31 US disclosed
EP-2194146-A1 A molecular beacon and a method for its synthesis Japan Science and Technology Agency (JP) 2010-06-09 EP disclosed
US-20090018320-A1 Dna detection method using molecular beacon with the use of monomer emission/excimer emission switching of fluorescent molecule JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-01-15 US disclosed
US-20080138908-A1 Mass Spectrometry THE NOGUCHI INSTITUTE (JP) 2008-06-12 US disclosed
EP-1865312-A1 MASS SPECTROMETRY The Noguchi Institute (JP) 2007-12-12 EP disclosed