SCHEMBL9844736

SCHEMBL9844736

CN1CC(CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c2c(O)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.49
ATIC P31939 2/20 0.47
DHFR P00374 4/20 0.45
TYMS P04818 1/20 0.42

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
SCHEMBL9844836 0.95 DHFR (0.47) GARTATICDHFR
SCHEMBL9844794 0.91 DHFR (0.51) GARTATICDHFRTYMS
SCHEMBL9844879 0.87 ATIC (0.48) GARTATICDHFRTYMS
SCHEMBL9844818 0.86 DHFR (0.54) GARTATICDHFR
SCHEMBL9844754 0.86 ATIC (0.51) GARTATICDHFRTYMS
SCHEMBL9844885 0.86 ATIC (0.51) GARTATICDHFRTYMS
SCHEMBL9844789 0.82 GART (0.48) GARTATICDHFRTYMS
SCHEMBL9844814 0.81 DHFR (0.52) GARTATICDHFRTYMS
SCHEMBL9844804 0.75 GART (0.56) GARTATICDHFR
SCHEMBL9844819 0.73 DHFR (0.51) GARTATICDHFRTYMS

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