SCHEMBL31479896

SCHEMBL31479896

CCOC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CD O00329 2/20 0.41
PDE4B Q07343 1/20 0.38
GLS O94925 2/20 0.38
EPHX1 P07099 1/20 0.38
NR1H2 P55055 1/20 0.37
CHEK2 O96017 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PREP P48147 1/20 0.36

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
SCHEMBL21749249 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL20552373 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL1967730 0.92 PRMT5 (0.44) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL1975644 0.92 PRMT5 (0.44) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL1980890 0.92 PRMT5 (0.44) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL27406227 0.87 MEN1 (0.49) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL16993101 0.87 MEN1 (0.49) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL20120311 0.87 NR1H2 (0.46) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL5664877 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTPRMT5
SCHEMBL5664868 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTPRMT5

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed