SCHEMBL7060247

SCHEMBL7060247

N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)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 12/20 0.58
FOLH1 Q04609 3/20 0.56
GLO1 Q04760 1/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46

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
SCHEMBL9347287 0.97 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL27709907 0.97 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL121500 0.97 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL15420876 0.97 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL121501 0.97 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL15420877 0.97 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL2509561 0.97 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL29265136 0.95 PTGS1 (0.68) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL28993717 0.95 PTGS1 (0.68) PTGS1GSTK1NOD1FOLH1GLO1
Water SCHEMBL9548430 0.95 PTGS1 (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206220-A Soluble and stable sources of tyrosine, cysteine and glutamine for total parenteral nutrition RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-04-27 US claimed
WO-2015039904-A1 METHOD FOR THE FERMENTATIVE PRODUCTION OF GAMMA-GLUTAMYLCYSTEINE AND DERIVATIVES OF SAID DIPEPTIDE WACKER CHEMIE AG (DE) 2015-03-26 WO disclosed
WO-2015036301-A1 METHOD FOR THE FERMENTATIVE PRODUCTION OF GAMMA GLUTAMYLCYSTEINE AND DERIVATIVES OF SAID DIPEPTIDE WACKER CHEMIE AG (DE) 2015-03-19 WO disclosed
EP-0820285-B1 METHODS AND COMPOSITIONS FOR LIPIDIZATION OF HYDROPHILIC MOLECULES UNIV SOUTHERN CALIFORNIA (US) 2003-05-21 EP disclosed
US-5206220-A Soluble and stable sources of tyrosine, cysteine and glutamine for total parenteral nutrition RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-04-27 US disclosed