SCHEMBL13086269

SCHEMBL13086269

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
TGM2 P21980 4/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
FOLH1 Q04609 3/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44

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
SCHEMBL7893434 0.85 MAPT (0.53) MAPTKLK7KLK5TGM2ALDH1A1
SCHEMBL7759126 0.85 MAPT (0.53) MAPTKLK7KLK5TGM2ALDH1A1
SCHEMBL30600455 0.85 MAPT (0.53) MAPTKLK7KLK5TGM2ALDH1A1
SCHEMBL29401091 0.85 MAPT (0.53) MAPTKLK7KLK5TGM2ALDH1A1
SCHEMBL2334326 0.83 MAPT (0.68) MAPTKLK7KLK5TGM2FOLH1
SCHEMBL3210903 0.83 MAPT (0.68) MAPTKLK7KLK5TGM2FOLH1
SCHEMBL2334319 0.83 MAPT (0.68) MAPTKLK7KLK5TGM2FOLH1
SCHEMBL10077062 0.83 TGM2 (0.69) MAPTKLK7KLK5TGM2FOLH1
SCHEMBL28334172 0.83 ALDH1A1 (0.49) MAPTKLK7KLK5TGM2ALDH1A1
SCHEMBL20945354 0.82 TGM2 (0.52) MAPTKLK7KLK5TGM2ALDH1A1

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-2010114615-A2 A FACILE SYSTEM FOR ENCODING UNNATURAL AMINO ACIDS IN MAMMALIAN CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-07 WO disclosed