SCHEMBL9844754

SCHEMBL9844754

CN1CC(CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c2c(O)nc(N)nc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.51
DHFR P00374 6/20 0.51
TYMS P04818 3/20 0.51
GART P22102 3/20 0.50

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
SCHEMBL9844885 1.00 ATIC (0.51) ATICDHFRTYMSGART
SCHEMBL9844814 0.95 DHFR (0.52) ATICDHFRTYMSGART
SCHEMBL9844879 0.91 ATIC (0.48) ATICDHFRTYMSGART
SCHEMBL9844736 0.86 GART (0.49) ATICDHFRTYMSGART
SCHEMBL9844789 0.86 GART (0.48) ATICDHFRTYMSGART
SCHEMBL9844784 0.85 KDM4E (0.43) ATICDHFRTYMS
SCHEMBL9844782 0.85 KDM4E (0.43) ATICDHFRTYMS
SCHEMBL9844794 0.84 DHFR (0.51) ATICDHFRTYMSGART
SCHEMBL9001801 0.83 DHFR (0.53) ATICDHFRTYMSGART
SCHEMBL8997158 0.83 ATIC (0.61) ATICDHFRTYMSGART

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