SCHEMBL29822167

SCHEMBL29822167

CC(=O)NCCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.66
▸ NAALAD2 Q9Y3Q0 2/20 0.55
▸ RIMKLA Q8IXN7 1/20 0.55
▸ EPHX2 P34913 1/20 0.51
▸ GNPAT O15228 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.46
▸ ADRA1A P35348 1/20 0.44

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
SCHEMBL468801 0.85 FOLH1 (0.59) FOLH1NAALAD2RIMKLAEPHX2GNPAT
SCHEMBL12648688 0.85 FOLH1 (0.59) FOLH1NAALAD2RIMKLAEPHX2GNPAT
SCHEMBL468800 0.85 FOLH1 (0.59) FOLH1NAALAD2RIMKLAEPHX2GNPAT
SCHEMBL15958206 0.84 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATNOD1
SCHEMBL2623710 0.84 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATNOD1
SCHEMBL18082026 0.84 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATNOD1
SCHEMBL19718595 0.84 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATNOD1
SCHEMBL18272425 0.84 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATNOD1
SCHEMBL25874926 0.84 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATNOD1
SCHEMBL20380824 0.84 FOLH1 (0.58) FOLH1NAALAD2RIMKLAEPHX2GNPAT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003324-A Polyantigenic peptide mimetics of gonococcal Lipooligosaccharide (LOS) epitopes 马萨诸塞大学 2022-09-02 — — CN disclosed
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