SCHEMBL29099338

SCHEMBL29099338

CCOC(=O)C1=CN(C(=O)OC(C)(C)C)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
ADORA1 P30542 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL28551530 0.88 TSHR (0.39) L3MBTL1HDAC4HDAC6ALDH1A1LMNA
SCHEMBL7863282 0.72 GLA (0.46) GLAADORA1MEN1KMT2AATM
SCHEMBL3355808 0.71 GLA (0.40) GLAADORA1MEN1KMT2AL3MBTL1
SCHEMBL20670426 0.70 GLA (0.42) GLAADORA1MEN1KMT2AATM
SCHEMBL28679752 0.69 ADORA1 (0.40) GLAADORA1MEN1KMT2AATM
SCHEMBL23174287 0.67 L3MBTL1 (0.42) GLAADORA1MEN1KMT2AATM
SCHEMBL7824855 0.67 CRHBP (0.46) GLAADORA1MEN1KMT2AL3MBTL1
SCHEMBL28522899 0.67 TSHR (0.39) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL28587841 0.67 ADORA1 (0.38) GLAADORA1MEN1KMT2AATM
SCHEMBL4410627 0.67 GLA (0.39) GLAADORA1MEN1KMT2AATM

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
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed