SCHEMBL25680002

SCHEMBL25680002

CO[C@@H](C)CNC(=O)CNC(=O)CN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL25679992 0.94 GSK3A (0.42) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL25683883 0.94 GSK3A (0.42) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL30395097 0.77 GSK3A (0.42) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL25704255 0.77 GSK3A (0.42) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL27275549 0.77 GSK3A (0.46) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL25680048 0.76 GSK3A (0.41) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL18101913 0.76 GSK3A (0.47) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL30396141 0.75 GSK3A (0.39) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL20287639 0.74 GSK3A (0.44) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL22317387 0.72 PTGS1 (0.42) GSK3AGSK3BALDH1A1HPGDCYP1A2

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-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed