SCHEMBL14775440

SCHEMBL14775440

CC(=O)SC[C@H](N)C(=O)OC(=O)[C@@H](N)CS

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL8936197 0.83 ANPEP (0.41) PTGS1SLC7A11
SCHEMBL457218 0.81 PTGS1 (0.43) PTGS1SLC7A11
SCHEMBL20657045 0.80 PTGS1 (0.55) PTGS1SLC7A11CPB2
SCHEMBL1964879 0.80 PTGS1 (0.55) PTGS1SLC7A11CPB2
Hydrochloric Acid SCHEMBL11053790 0.78 PTGS1 (0.52) PTGS1SLC7A11
Hydrochloric Acid SCHEMBL11053789 0.78 PTGS1 (0.52) PTGS1SLC7A11
Cysteine SCHEMBL14775438 0.78 PTGS1 (0.61) PTGS1SLC7A11CPB2
Cysteine SCHEMBL14775442 0.78 PTGS1 (0.61) PTGS1SLC7A11CPB2
SCHEMBL75414 0.77 PTGS1 (0.46) PTGS1SLC7A11CPB2
SCHEMBL1373431 0.77 PTGS1 (0.46) PTGS1SLC7A11

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
EP-1874948-B1 Process for the production of y-glutamylcysteine NEWSOUTH INNOVATIONS PTY LTD (AU) 2013-03-20 EP disclosed