SCHEMBL19709641

SCHEMBL19709641

CCOC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)OCC)C(=O)NCC(=O)OCC)NC(=O)CC[C@H](N)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.47
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
GLO1 Q04760 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGS1 P23219 1/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL19695203 1.00 NOD1 (0.47) NOD1KMT2APOLBGLO1L3MBTL1
SCHEMBL20752934 0.89 NOD1 (0.41) NOD1KMT2APOLBGLO1L3MBTL1
SCHEMBL19694411 0.88 GLO1 (0.42) NOD1KMT2APOLBGLO1PTGS1
SCHEMBL19709876 0.88 NOD1 (0.45) NOD1KMT2APOLBGLO1L3MBTL1
SCHEMBL20885537 0.87 GLO1 (0.40) NOD1KMT2APOLBGLO1L3MBTL1
SCHEMBL20885589 0.87 GLO1 (0.40) NOD1KMT2APOLBGLO1L3MBTL1
SCHEMBL16501104 0.87 PTGS1 (0.58) NOD1KMT2APOLBGLO1L3MBTL1
SCHEMBL2137598 0.87 PTGS1 (0.58) NOD1KMT2APOLBGLO1L3MBTL1
Bromide SCHEMBL20874260 0.87 GLO1 (0.43) NOD1KMT2APOLBGLO1PTGS1
Bromide SCHEMBL20874263 0.87 GLO1 (0.43) NOD1KMT2APOLBGLO1PTGS1

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-2017214297-A1 COMPOUNDS FOR DELIVERING GLUTATHIONE TO A TARGET AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2017-12-14 WO disclosed