SCHEMBL18794858

SCHEMBL18794858

COC(=O)C[C@H](NC[C@@H](NCc1ccccc1)C(=O)OC)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN9A Q15858 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL18794861 1.00 ATM (0.49) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL15729475 0.94 ATM (0.54) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL27671960 0.84 TRPM8 (0.50) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL2171165 0.84 TRPM8 (0.50) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL14481880 0.84 MAPT (0.46) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL30988967 0.84 ATM (0.55) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL14481881 0.84 MAPT (0.46) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL15423734 0.82 ITGA4 (0.58) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL304265 0.79 ATM (0.56) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL14636601 0.79 ATM (0.56) ATMKMT2AMEN1L3MBTL1MAPT

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-2017070794-A1 PROCESS FOR THE PREPARATION OF 2-[2-(2-AMINO-2-CARBOXY-ETHYLAMINO)-2-CARBOXY-ETHYLAMINO]-SUCCINIC ACID (AM-A) AND ANALOGS AND DERIVATIVES THEREOF MCMASTER UNIVERSITY (CA) 2017-05-04 WO disclosed