SCHEMBL28533455

SCHEMBL28533455

COC(=O)CC[C@@H](C(=O)OC)N(CC(=O)OC)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
AKT1 P31749 1/20 0.41
ESRRB O95718 1/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
TSHR P16473 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
SCHEMBL28533457 1.00 KMT2A (0.41) KMT2AAKT1ESRRBMEN1PLA2G1B
SCHEMBL22608743 0.76 EPOR (0.50) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL22608741 0.76 EPOR (0.50) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL22608742 0.76 EPOR (0.50) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL13435761 0.74 CASR (0.43) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL12984203 0.72 KMT2A (0.45) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL27334288 0.72 EPOR (0.38) KMT2AAKT1ESRRBALOX5ALDH1A1
SCHEMBL12983984 0.71 KMT2A (0.44) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL12984265 0.70 KMT2A (0.43) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL27660160 0.70 ALOX5 (0.52) KMT2AMEN1ALOX5ALDH1A1LMNA

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-109970625-B Preparation method of 5R-benzyloxyaminopiperidine-2S-formic acid or derivative thereof 新发药业有限公司 2021-02-26 CN disclosed