SCHEMBL6064367

SCHEMBL6064367

CC(OC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.70
GSTK1 Q9Y2Q3 1/20 0.70
GLO1 Q04760 2/20 0.50
NOD1 Q9Y239 10/20 0.42
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 1/20 0.39
FOLH1 Q04609 2/20 0.38

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
SCHEMBL680549 0.92 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL10490002 0.92 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL24359832 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FNTA
Ethylene Glycol SCHEMBL3625093 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL14842415 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL26945939 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL10797351 0.88 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL680902 0.88 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL9817253 0.88 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
Sulfuric Acid SCHEMBL7504984 0.88 PTGS1 (0.65) 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
WO-2006015214-A2 UMBILICAL CORD STEM CELL COMPOSITION & METHOD OF TREATING NEUROLOGICAL DISEASES STEENBLOCK RESEARCH INSTITUTE, INC. (US) 2006-02-09 WO disclosed