SCHEMBL16112660

SCHEMBL16112660

O=C(O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)NO)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
GSTK1 Q9Y2Q3 1/20 0.66
FOLH1 Q04609 6/20 0.56
NAALAD2 Q9Y3Q0 2/20 0.47
RIMKLA Q8IXN7 1/20 0.47
GLO1 Q04760 2/20 0.46
NOD1 Q9Y239 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
SCHEMBL27490732 0.89 PTGS1 (0.72) PTGS1GSTK1FOLH1NAALAD2RIMKLA
SCHEMBL29559136 0.89 PTGS1 (0.72) PTGS1GSTK1FOLH1NAALAD2RIMKLA
SCHEMBL28502763 0.86 PTGS1 (0.69) PTGS1GSTK1FOLH1NAALAD2RIMKLA
SCHEMBL2928611 0.85 PTGS1 (0.67) PTGS1GSTK1FOLH1GLO1NOD1
SCHEMBL236405 0.85 PTGS1 (0.67) PTGS1GSTK1FOLH1NAALAD2RIMKLA
SCHEMBL6665444 0.85 PTGS1 (0.67) PTGS1GSTK1FOLH1NAALAD2RIMKLA
SCHEMBL20787756 0.85 PTGS1 (0.67) PTGS1GSTK1FOLH1GLO1NOD1
SCHEMBL17629937 0.85 PTGS1 (0.67) PTGS1GSTK1FOLH1NAALAD2RIMKLA
SCHEMBL20787749 0.85 PTGS1 (0.67) PTGS1GSTK1FOLH1NAALAD2RIMKLA
SCHEMBL1646531 0.85 PTGS1 (0.71) PTGS1GSTK1FOLH1NAALAD2RIMKLA

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-2014159720-A1 METHODS AND COMPOSITIONS FOR INHIBITING GLYOXALASE 1 (GLO1) THE UNIVERSITY OF CHICAGO (US) 2014-10-02 WO disclosed