Esorubicin

Esorubicin

SCHEMBL2801776

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3OC1CC(N)CC(C)O1

nearest known ligand 0.81

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.81
KMT2A Q03164 8/20 0.81
THRB P10828 7/20 0.81
BLM P54132 7/20 0.81
RECQL P46063 6/20 0.81
BRCA1 P38398 6/20 0.81
TDP1 Q9NUW8 5/20 0.81
HIF1A Q16665 5/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
TOP2A P11388 5/20 0.81
MAPT P10636 4/20 0.81
MAPK1 P28482 4/20 0.81
PTGS1 P23219 3/20 0.81
CHRM1 P11229 3/20 0.81
TBXA2R P21731 3/20 0.81
KDM4E B2RXH2 3/20 0.81
ALDH1A1 P00352 3/20 0.81
ABCB1 P08183 3/20 0.81
STAT6 P42226 3/20 0.81
HTT P42858 3/20 0.81

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
Esorubicin SCHEMBL8022 1.00 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
Esorubicin SCHEMBL8023 1.00 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
Esorubicin SCHEMBL14036660 1.00 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
Esorubicin SCHEMBL3864 0.99 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
Esorubicin SCHEMBL27821472 0.99 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL28172320 0.94 MEN1 (0.92) MEN1KMT2ATHRBBLMRECQL
SCHEMBL16213943 0.93 MEN1 (0.71) MEN1KMT2ATHRBBLMRECQL
SCHEMBL14547881 0.92 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22873366 0.92 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12864550 0.92 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL

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
EP-2253308-A1 Pharmaceutical composition comprising microbubbles for targeted tumor therapy Ludwig-Maximilians-Universität München (DE) 2010-11-24 EP disclosed