SCHEMBL28397952

SCHEMBL28397952

CCOC(=O)CC1C=CC=CC1=NOC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPA1 O75762 1/20 0.31
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL6924804 0.78 GSK3A (0.41) GSK3AGSK3BALDH1A1KMT2ACYP1A2
SCHEMBL20495271 0.75 GSK3A (0.35) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL11167668 0.73 GSK3A (0.34) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL6208627 0.72 GSK3A (0.33) GSK3AGSK3BALDH1A1CYP1A2GAA
SCHEMBL6208633 0.72 GSK3A (0.33) GSK3AGSK3BALDH1A1CYP1A2GAA
SCHEMBL7398001 0.63 CYP1A2 (0.48) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL23922439 0.63 GSK3A (0.41) GSK3AGSK3BALDH1A1KMT2ACYP1A2
SCHEMBL736634 0.62 GSK3A (0.40) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL30565914 0.60 ALDH1A1 (0.40) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL21648120 0.59 HSD17B10 (0.42) GSK3AGSK3BALDH1A1MEN1KMT2A

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-111217828-B Preparation method of lepistamycin and intermediate thereof 浙江海正药业股份有限公司 2022-11-25 CN disclosed
CN-111217828-A Preparation method of lepithromycin and intermediate thereof 浙江海正药业股份有限公司 2020-06-02 CN disclosed