SCHEMBL3789730

SCHEMBL3789730

C=C(C)C(=O)ON[C@@H](CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
SLC6A5 Q9Y345 1/20 0.41
GSR P00390 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
CPB2 Q96IY4 11/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
TGFBR1 P36897 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL901401 0.83 FOLH1 (0.47) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL28437067 0.80 FOLH1 (0.45) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL30257380 0.79 FOLH1 (0.53) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL19987936 0.77 FOLH1 (0.40) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL29193624 0.77 FOLH1 (0.51) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL2038707 0.77 FOLH1 (0.51) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL30935981 0.77 FOLH1 (0.54) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL1690444 0.76 TGFBR1 (0.59) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL28875863 0.76 ECE1 (0.39) TGFBR1
SCHEMBL6579582 0.76 TGFBR1 (0.59) FOLH1SLC6A5GSRRNPEPCPB2

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-1960779-B1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II UNIV CALIFORNIA (US) 2010-08-25 EP disclosed