SCHEMBL483765

SCHEMBL483765

CC(C)(C)OC(=O)N[C@](C)(CCC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.53
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MAPT P10636 2/20 0.46
PPARG P37231 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCL2 P10415 1/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HDAC1 Q13547 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
LTA4H P09960 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL311818 1.00 EGFR (0.53) EGFRMAOBL3MBTL1NR4A1NR4A2
SCHEMBL483716 0.89 PTPN1 (0.53) MAOBNR4A1NR4A2NR4A3MEN1
SCHEMBL310957 0.87 MAOB (0.51) EGFRMAOBL3MBTL1RAB9ASMN1; SMN2
SCHEMBL840032 0.86 EGFR (0.50) EGFRMAOBL3MBTL1NR4A1NR4A2
SCHEMBL3350999 0.83 ITGB3 (0.55) MAOBNR4A1NR4A2NR4A3MAPT
SCHEMBL23878364 0.80 LMNA (0.46) KDM4EMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2714607 0.80 PPARA (0.55) EGFRMAOBPPARGBCL2LTA4H
SCHEMBL20876849 0.80 PPARA (0.55) EGFRMAOBPPARGBCL2LTA4H
SCHEMBL2727271 0.80 PPARA (0.55) EGFRMAOBPPARGBCL2LTA4H
SCHEMBL2009888 0.79 HDAC1 (0.55) EGFRMAOBL3MBTL1NR4A1NR4A2

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
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed