SCHEMBL9844804

SCHEMBL9844804

O=C(O)CC[C@H](NC(=O)c1ccc(CCC2Cc3c(O)ncnc3N2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.56
ATIC P31939 3/20 0.48
DHFR P00374 1/20 0.46

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
SCHEMBL9844876 0.95 GART (0.56) GARTATICDHFR
SCHEMBL9844755 0.87 GART (0.57) GARTATICDHFR
SCHEMBL9223490 0.84 GART (0.54) GARTATICDHFR
SCHEMBL9844758 0.82 GART (0.57) GARTATICDHFR
SCHEMBL9844788 0.82 GART (0.60) GARTATICDHFR
SCHEMBL9229346 0.79 GART (0.54) GARTATICDHFR
SCHEMBL9219257 0.79 GART (0.57) GARTATICDHFR
SCHEMBL9223509 0.77 GART (0.47) GARTATICDHFR
SCHEMBL9844865 0.77 GART (0.60) GARTATICDHFR
SCHEMBL9844736 0.75 GART (0.49) GARTATICDHFR

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