SCHEMBL4237894

SCHEMBL4237894

O=C(C=Cc1ccccc1)Oc1coc(CO)cc1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.69
MAPT P10636 1/20 0.69
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
DAO P14920 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
ELANE P08246 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL15614800 0.85 MAPT (0.53) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL15614810 0.84 KMT2A (0.53) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL17321149 0.80 KDM4E (0.49) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL15614803 0.80 KMT2A (0.48) KMT2AMAPTKDM4EDAOMEN1
SCHEMBL15884205 0.79 KDM4E (0.60) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL942730 0.79 ELANE (0.57) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL15614813 0.78 KMT2A (0.46) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL15614796 0.76 PPARG (0.50) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL15614811 0.76 KDM4E (0.47) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL15614801 0.75 KMT2A (0.43) KMT2AMAPTKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051460-A2 PEPTIDE COUPLED ASCORBIC ACID DERIVATIVES SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-04-23 WO disclosed