SCHEMBL31244871

SCHEMBL31244871

N[C@@H](CCO)C(=O)N[C@@H](CCO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.39
▸ RIMKLA Q8IXN7 1/20 0.39
▸ NAALAD2 Q9Y3Q0 1/20 0.39
▸ NOD1 Q9Y239 4/20 0.39
▸ DPP4 P27487 3/20 0.39
▸ DPP8 Q6V1X1 3/20 0.39
▸ DPP9 Q86TI2 3/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ GNPAT O15228 2/20 0.37
▸ ACE P12821 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL8592150 0.89 DPP8 (0.47) NOD1DPP4DPP8DPP9DPP7
SCHEMBL8592155 0.89 DPP8 (0.47) NOD1DPP4DPP8DPP9DPP7
SCHEMBL30799547 0.87 GNPAT (0.44) FOLH1RIMKLANAALAD2NOD1DPP4
SCHEMBL30868624 0.86 DPP7 (0.54) NOD1DPP4DPP8DPP9DPP7
SCHEMBL27032750 0.84 SLC7A5 (0.50) FOLH1NOD1
SCHEMBL27128928 0.84 SLC7A5 (0.50) FOLH1NOD1
SCHEMBL31181279 0.82 NOD1 (0.51) FOLH1RIMKLANAALAD2NOD1DPP4
SCHEMBL29601415 0.80 DPP7 (0.46) FOLH1RIMKLANAALAD2NOD1DPP4
SCHEMBL29775575 0.80 DPP7 (0.46) FOLH1RIMKLANAALAD2NOD1DPP4
SCHEMBL29716687 0.79 DPP4 (0.46) FOLH1RIMKLANAALAD2NOD1DPP4

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-113272282-B 2, 5-Dioxopiperazine lipids with intercalated ester, thioester, disulfide and anhydride moieties 川斯勒佰尔公司 2024-11-08 — — CN disclosed
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