SCHEMBL25496751

SCHEMBL25496751

CC(C)(C)OC(=O)NCCC[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
BRD4 O60885 1/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CACNA1B Q00975 2/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
DRD2 P14416 1/20 0.41
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL5350831 0.93 MEN1 (0.47) GAAMEN1KMT2ATDP1POLB
SCHEMBL25496750 0.88 MEN1 (0.56) GAAMEN1KMT2ATDP1BRD4
SCHEMBL25496756 0.86 GAA (0.55) GAAMEN1KMT2ATDP1BRD4
SCHEMBL3649756 0.86 GAA (0.55) GAAMEN1KMT2ATDP1BRD4
SCHEMBL6494079 0.86 MEN1 (0.61) GAAMEN1KMT2ATDP1POLB
SCHEMBL6491658 0.86 MEN1 (0.61) GAAMEN1KMT2ATDP1POLB
SCHEMBL6500581 0.86 MEN1 (0.61) GAAMEN1KMT2ATDP1POLB
SCHEMBL25496749 0.85 GAA (0.54) GAAMEN1KMT2ATDP1BRD4
SCHEMBL25496760 0.85 MEN1 (0.50) GAAMEN1KMT2ATDP1BRD4
SCHEMBL2434610 0.85 CTSS (0.45) GAAPOLBCTSSCTSK

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-2023082465-A1 METHOD FOR PREPARING AMINO ALCOHOL BY ASYMMETRIC HYDROGENATION AND APPLICATION THEREOF 凯特立斯(深圳)科技有限公司 2023-05-19 WO disclosed