SCHEMBL6765269

SCHEMBL6765269

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.67
GSTK1 Q9Y2Q3 1/20 0.67
NOD1 Q9Y239 9/20 0.49
FOLH1 Q04609 2/20 0.43
GLO1 Q04760 1/20 0.43
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GSR P00390 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRIK1 P39086 1/20 0.40
GRM5 P41594 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40

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
SCHEMBL15704556 0.94 PTGS1 (0.63) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL929035 0.93 PTGS1 (0.72) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL929863 0.89 PTGS1 (0.67) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL21404899 0.88 NOD1 (0.59) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL21404897 0.88 NOD1 (0.59) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL7470726 0.87 PTGS1 (0.69) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL7470740 0.87 PTGS1 (0.69) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL929853 0.87 PTGS1 (0.68) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL9347287 0.86 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL15420876 0.86 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040143869-A1 Methods of identifying compounds that induce expression of glutathione S-transferase AVENTIS AGRICULTURE LIMITED (GB) 2004-07-22 US disclosed
US-6730828-B1 FOR HERBICIDE RESISTANT PLANT CELLS AND PLANTS AVENTIS AGRICULTURE LIMITED (GB) 2004-05-04 US disclosed
EP-1015603-A2 NEW PLANT GENES RHONE-POULENC AGRICULTURE LTD. (GB) 2000-07-05 EP disclosed
WO-1999014337-A2 NEW PLANT GENES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-03-25 WO disclosed