SCHEMBL28050255

SCHEMBL28050255

N=C(N)NCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 14/20 0.59
▸ FOLH1 Q04609 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ GSTK1 Q9Y2Q3 1/20 0.48
▸ GNPAT O15228 1/20 0.44
▸ FNTA P49354 2/20 0.44
▸ FNTB P49356 2/20 0.44
▸ PGGT1B P53609 1/20 0.44
▸ OTC P00480 1/20 0.43

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
SCHEMBL13585280 1.00 NOD1 (0.59) NOD1FOLH1PTGS1GSTK1GNPAT
SCHEMBL13585207 1.00 NOD1 (0.59) NOD1FOLH1PTGS1GSTK1GNPAT
SCHEMBL1768815 0.89 NOD1 (0.55) NOD1FOLH1PTGS1GSTK1FNTA
SCHEMBL22207952 0.89 NOD1 (0.62) NOD1FOLH1PTGS1GSTK1GNPAT
SCHEMBL31137901 0.89 NOD1 (0.62) NOD1FOLH1PTGS1GSTK1GNPAT
SCHEMBL20179364 0.88 PTGS1 (0.64) NOD1FOLH1PTGS1GSTK1FNTA
SCHEMBL20539114 0.87 NOD1 (0.47) NOD1GNPATFNTAFNTBPGGT1B
SCHEMBL18765407 0.87 NOD1 (0.47) NOD1GNPATFNTAFNTBPGGT1B
Arginine SCHEMBL29425345 0.86 NOD1 (0.77) NOD1FNTAFNTB
D-Glutamate SCHEMBL27891561 0.86 NOD1 (0.69) NOD1

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-105399797-A Primary sequences of 22 kinds of new ginseng polypeptides LUO HAOMING 2016-03-16 — — CN disclosed
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