SCHEMBL9844809

SCHEMBL9844809

O=C(O)CC[C@H](NC(=O)c1ccc(CCCc2cc3c(O)ncnc3[nH]2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 18/20 0.69
FOLR2 P14207 9/20 0.69
FOLR1 P15328 9/20 0.69
SLC46A1 Q96NT5 7/20 0.69
SLC19A1 P41440 5/20 0.69
DHFR P00374 1/20 0.55
ATIC P31939 2/20 0.54

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
SCHEMBL9844860 0.94 GART (0.61) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9223840 0.85 GART (0.72) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9844827 0.83 GART (0.76) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL18540804 0.82 GART (1.00) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL18551644 0.82 GART (1.00) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9844849 0.81 GART (0.67) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9225900 0.80 GART (0.73) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL18158248 0.80 GART (1.00) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9224790 0.79 GART (0.64) GARTFOLR2FOLR1SLC46A1SLC19A1
SCHEMBL9223857 0.78 GART (0.61) 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