SCHEMBL4408402

SCHEMBL4408402

N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NC[C]=O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.73
GSTK1 Q9Y2Q3 1/20 0.73
GLO1 Q04760 2/20 0.51
NOD1 Q9Y239 10/20 0.48
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 1/20 0.44
FOLH1 Q04609 1/20 0.40
ACE P12821 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM8 O00222 1/20 0.39

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
SCHEMBL24359868 0.87 PTGS1 (0.75) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL24360271 0.87 PTGS1 (0.75) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL928708 0.87 PTGS1 (0.79) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL929035 0.85 PTGS1 (0.72) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL121501 0.85 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL9347287 0.85 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL2509561 0.85 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL15420876 0.85 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL15420877 0.85 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL27709907 0.85 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FNTA

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
US-7585846-B2 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof UNIVERSITY OF ROCHESTER (US) 2009-09-08 US claimed