Sugi Predict

Sugi Predict / Compounds / SCHEMBL9844818

SCHEMBL9844818

SCHEMBL9844818

CN1CC(CCCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.54
▸ GART P22102 5/20 0.51
▸ ATIC P31939 5/20 0.50
▸ SHMT1 P34896 2/20 0.47
▸ SHMT2 P34897 2/20 0.47

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
SCHEMBL9844794 0.95 DHFR (0.51) DHFRGARTATIC
SCHEMBL9844836 0.92 DHFR (0.47) DHFRGARTATICSHMT1SHMT2
SCHEMBL9844736 0.86 GART (0.49) DHFRGARTATIC
SCHEMBL9844814 0.85 DHFR (0.52) DHFRGARTATICSHMT1SHMT2
SCHEMBL9844789 0.82 GART (0.48) DHFRGARTATICSHMT1SHMT2
SCHEMBL9844754 0.80 ATIC (0.51) DHFRGARTATIC
SCHEMBL9844885 0.80 ATIC (0.51) DHFRGARTATIC
SCHEMBL9844879 0.77 ATIC (0.48) DHFRGARTATIC
SCHEMBL1066004 0.75 DHFR (0.59) DHFRGARTATIC
SCHEMBL8997257 0.75 GART (0.61) DHFRGARTATIC

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