SCHEMBL4963576

SCHEMBL4963576

CC(O)S.NC(=O)CC[C@H](N)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
DPP4 P27487 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52
ALOX15 P16050 2/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS1 P23219 1/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
FOLH1 Q04609 2/20 0.42
NOD1 Q9Y239 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
SCHEMBL5971076 0.93 ALOX15 (0.53) ACEDPP4DPP8DPP9ALOX15
SCHEMBL15420943 0.93 ALOX15 (0.53) ACEDPP4DPP8DPP9ALOX15
SCHEMBL210007 0.93 ALOX15 (0.53) ACEDPP4DPP8DPP9ALOX15
SCHEMBL29420040 0.90 ALOX15 (0.50) ACEDPP4DPP8DPP9ALOX15
SCHEMBL16770242 0.89 ACE (0.50) ACEDPP4DPP8DPP9ALOX15
SCHEMBL30288029 0.88 ALOX15 (0.49) ACEDPP4DPP8DPP9ALOX15
SCHEMBL30288042 0.88 ALOX15 (0.49) ACEDPP4DPP8DPP9ALOX15
Glycine SCHEMBL2793248 0.87 ALOX15 (0.47) ACEDPP4DPP8DPP9ALOX15
SCHEMBL29924065 0.86 ALOX15 (0.46) ACEDPP4DPP8DPP9ALOX15
SCHEMBL6809847 0.85 KMT2A (0.49) ACEDPP4DPP8DPP9ALOX15

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
EP-1874948-A1 PROCESS FOR THE PRODUCTION OF y-GLUTAMYLCYSTEINE Newsouth Innovations Pty Limited (AU) 2008-01-09 EP claimed
WO-2006102722-A1 PROCESS FOR THE PRODUCTION OF Ϝ-GLUTAMYLCYSTEINE NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2006-10-05 WO claimed
EP-1874948-A1 PROCESS FOR THE PRODUCTION OF y-GLUTAMYLCYSTEINE Newsouth Innovations Pty Limited (AU) 2008-01-09 EP disclosed
WO-2006102722-A1 PROCESS FOR THE PRODUCTION OF Ϝ-GLUTAMYLCYSTEINE NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2006-10-05 WO disclosed