SCHEMBL28926739

SCHEMBL28926739

C=CCOC(=O)NC1CC(O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.74
▸ KMT2A Q03164 9/20 0.74
▸ THRB P10828 8/20 0.74
▸ BLM P54132 7/20 0.74
▸ RECQL P46063 6/20 0.74
▸ TOP2A P11388 5/20 0.74
▸ TDP1 Q9NUW8 5/20 0.74
▸ HIF1A Q16665 5/20 0.74
▸ SMN1; SMN2 Q16637 5/20 0.74
▸ BRCA1 P38398 5/20 0.74
▸ MAPT P10636 4/20 0.74
▸ MAPK1 P28482 4/20 0.74
▸ HTT P42858 4/20 0.74
▸ CHRM1 P11229 3/20 0.74
▸ TBXA2R P21731 3/20 0.74
▸ PTGS1 P23219 3/20 0.74
▸ KDM4E B2RXH2 3/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ ABCB1 P08183 3/20 0.74
▸ FYN P06241 2/20 0.74

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
SCHEMBL24341972 0.93 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17706678 0.93 MEN1 (0.77) MEN1KMT2ATHRBBLMRECQL
SCHEMBL10014019 0.93 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL30465123 0.93 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL21215950 0.93 MEN1 (0.74) MEN1KMT2ATHRBBLMRECQL
SCHEMBL28926713 0.91 MEN1 (0.76) MEN1KMT2ATHRBBLMRECQL
SCHEMBL26961130 0.91 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL21998242 0.91 MEN1 (0.66) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22430759 0.91 MEN1 (0.73) MEN1KMT2ATHRBBLMRECQL
SCHEMBL24341977 0.91 MEN1 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551405-A Bioorthogonal catalytic patch and method of use thereof 加利福尼亚大学董事会 2022-12-30 — — CN claimed
CN-115551405-A Bioorthogonal catalytic patch and method of use thereof 加利福尼亚大学董事会 2022-12-30 — — CN disclosed
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