SCHEMBL9844860

SCHEMBL9844860

O=C(O)CC[C@H](NC(=O)c1ccc(CCc2cc3c(O)ncnc3[nH]2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GART P22102 15/20 0.61
FOLR2 P14207 8/20 0.61
FOLR1 P15328 8/20 0.61
SLC46A1 Q96NT5 5/20 0.61
SLC19A1 P41440 3/20 0.61
DHFR P00374 3/20 0.54
ATIC P31939 3/20 0.51
TYMS P04818 1/20 0.51
SHMT1 P34896 1/20 0.51
FRK P42685 1/20 0.51

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
SCHEMBL9844809 0.94 GART (0.69) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9844849 0.87 GART (0.67) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9224790 0.84 GART (0.64) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9844824 0.82 GART (0.68) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL10068239 0.81 GART (0.90) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9223840 0.79 GART (0.72) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL7883849 0.79 DHFR (0.68) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL7883869 0.79 DHFR (0.68) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9224807 0.77 GART (0.55) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9844827 0.77 GART (0.76) GARTFOLR2FOLR1SLC46A1SLC19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP claimed
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed