SCHEMBL28294533

SCHEMBL28294533

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.82
▸ KMT2A Q03164 9/20 0.82
▸ THRB P10828 8/20 0.82
▸ BLM P54132 7/20 0.82
▸ RECQL P46063 6/20 0.82
▸ TOP2A P11388 5/20 0.82
▸ TDP1 Q9NUW8 5/20 0.82
▸ HIF1A Q16665 5/20 0.82
▸ SMN1; SMN2 Q16637 5/20 0.82
▸ BRCA1 P38398 5/20 0.82
▸ MAPT P10636 4/20 0.82
▸ MAPK1 P28482 4/20 0.82
▸ HTT P42858 4/20 0.82
▸ PTGS1 P23219 3/20 0.82
▸ CHRM1 P11229 3/20 0.82
▸ TBXA2R P21731 3/20 0.82
▸ KDM4E B2RXH2 3/20 0.82
▸ ALDH1A1 P00352 3/20 0.82
▸ ABCB1 P08183 3/20 0.82
▸ FYN P06241 2/20 0.82

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
SCHEMBL5579440 0.95 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL43830 0.95 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL27869989 0.95 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL2369231 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17899511 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL111629 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12022391 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20548043 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22970097 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13181351 0.94 MEN1 (0.82) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386962-A A kind of synthetic method of adriamycin coupling target polypeptide 苏州强耀生物科技有限公司 2019-10-29 — — CN disclosed
CN-109771660-A It is a kind of to respond the preparation of pectin-adriamycin/tripterine nanometer particle with pH 北京林业大学 2019-05-21 — — CN disclosed
CN-109718373-A Under near infrared light can depolymerization nanometer formulation and its preparation method and application 武汉纳乐吉生命科技有限公司 2019-05-07 — — CN disclosed
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