SCHEMBL4622026

SCHEMBL4622026

NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
GLO1 Q04760 1/20 0.46
PTGS1 P23219 1/20 0.46
GSTK1 Q9Y2Q3 1/20 0.46
EGFR P00533 1/20 0.44
NMT1 P30419 5/20 0.43
NMT2 O60551 4/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP4 P27487 1/20 0.43
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MMP2 P08253 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GSR P00390 1/20 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
SCHEMBL30317624 0.97 FOLH1 (0.51) FOLH1GLO1PTGS1GSTK1EGFR
SCHEMBL30361223 0.96 FOLH1 (0.50) FOLH1GLO1PTGS1GSTK1EGFR
SCHEMBL10795372 0.95 FOLH1 (0.51) FOLH1GLO1PTGS1GSTK1EGFR
SCHEMBL30064268 0.93 FOLH1 (0.48) FOLH1GLO1PTGS1GSTK1EGFR
SCHEMBL31734738 0.92 FOLH1 (0.47) FOLH1GLO1PTGS1GSTK1EGFR
SCHEMBL29568716 0.92 GSR (0.46) FOLH1GLO1PTGS1GSTK1NMT1
SCHEMBL29569320 0.92 GSR (0.46) FOLH1GLO1PTGS1GSTK1NMT1
SCHEMBL29569055 0.92 GSR (0.46) FOLH1GLO1PTGS1GSTK1NMT1
SCHEMBL29569009 0.92 GSR (0.46) FOLH1GLO1PTGS1GSTK1NMT1
SCHEMBL29568828 0.91 GSR (0.45) FOLH1GLO1PTGS1GSTK1NMT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583765-A4 COMPOSITIONS FOR TREATING AND/OR PREVENTING DISEASES CHARACTERIZED BY THE PRESENCE OF METAL IONS GRENPHARMA LLC (US) 2008-03-26 EP disclosed
EP-1583765-A2 COMPOSITIONS FOR TREATING AND/OR PREVENTING DISEASES CHARACTERIZED BY THE PRESENCE OF METAL IONS Grenpharma LLC (US) 2005-10-12 EP disclosed
WO-2004045552-A2 COMPOSITIONS FOR TREATING AND/OR PREVENTING DISEASES CHARACTERIZED BY THE PRESENCE OF METAL IONS GRENPHARMA LLC (US) 2004-06-03 WO disclosed