SCHEMBL4587552

SCHEMBL4587552

N[C@@H](CS)C(=O)OC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
GSR P00390 1/20 0.38
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34

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
SCHEMBL7865836 0.80 SLC7A5 (0.49) PKMMMP2PTGS1
SCHEMBL9717076 0.79 KIF11 (0.58) KIF11ANPEPENPEPNPSR1CYP1A2
SCHEMBL38107 0.77 NPSR1 (0.43) GSRNPSR1CYP1A2CYP2D6PKM
SCHEMBL286963 0.76 GSR (0.43) GSRCYP2D6MAPT
SCHEMBL22323630 0.76 GSR (0.43) GSRCYP2D6
SCHEMBL10336616 0.76 KIF11 (0.43) KIF11ANPEPENPEPNPSR1CYP1A2
SCHEMBL7944346 0.76 HCAR2 (0.47) KIF11ANPEPENPEPNPSR1CYP1A2
SCHEMBL9276515 0.76 GSR (0.41) GSRNPSR1CYP1A2CYP2D6PKM
SCHEMBL5932816 0.75 GSR (0.42) GSRCYP2D6MAPT
SCHEMBL9540562 0.75 KDM4E (0.59) SMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797177-A4 ADDING PHOTOREGULATED AMINO ACIDS TO THE GENETIC CODE SCRIPPS RESEARCH INST (US) 2008-07-09 EP claimed
EP-1797177-A2 ADDING PHOTOREGULATED AMINO ACIDS TO THE GENETIC CODE The Scripps Research Institute (US) 2007-06-20 EP claimed
WO-2006034410-A2 ADDING PHOTOREGULATED AMINO ACIDS TO THE GENETIC CODE THE SCRIPPS RESARCH INSTITUTE (US) 2006-03-30 WO claimed
WO-2021072167-A1 COMPOSITIONS AND METHODS FOR IN VIVO SYNTHESIS OF UNNATURAL POLYPEPTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-15 WO disclosed
EP-1797177-A4 ADDING PHOTOREGULATED AMINO ACIDS TO THE GENETIC CODE SCRIPPS RESEARCH INST (US) 2008-07-09 EP disclosed
EP-1797177-A2 ADDING PHOTOREGULATED AMINO ACIDS TO THE GENETIC CODE The Scripps Research Institute (US) 2007-06-20 EP disclosed
WO-2006034410-A2 ADDING PHOTOREGULATED AMINO ACIDS TO THE GENETIC CODE THE SCRIPPS RESARCH INSTITUTE (US) 2006-03-30 WO disclosed