SCHEMBL29951277

SCHEMBL29951277

CC(C)c1cn(C(=O)OC(C)(C)C)cc1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.32
F2RL1 P55085 1/20 0.32
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
PTPN2 P17706 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
SCHEMBL29952053 0.79 KMT2A (0.35) HTTATML3MBTL1MEN1KMT2A
SCHEMBL29953110 0.78 MEN1 (0.40) HTTATMMEN1KMT2AGPR119
SCHEMBL29950642 0.76 GAA (0.31)
SCHEMBL15252478 0.70 BCHE (0.40) HTTATML3MBTL1MEN1KMT2A
SCHEMBL28813437 0.70 KMT2A (0.41) HTTATML3MBTL1MEN1KMT2A
SCHEMBL5184141 0.69 BCHE (0.47) MAPK1L3MBTL1MEN1KMT2AGPR119
SCHEMBL1960456 0.68 MEN1 (0.37) HTTATMMAPK1MEN1KMT2A
SCHEMBL1668950 0.68 BCHE (0.36) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL13559889 0.67 BCHE (0.41) HTTATMMAPTALDH1A1MAPK1
SCHEMBL8288797 0.67 BCHE (0.38) HTTATMMAPTL3MBTL1MEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed