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SCHEMBL30496007

SCHEMBL30496007

CC(C)(C)OC(=O)C(N)CCC[C@](NC(=O)CCCCCN)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.35
▸ NOD1 Q9Y239 4/20 0.33
▸ GSR P00390 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.31
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MMP2 P08253 1/20 0.31

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
SCHEMBL1308718 0.76 GSR (0.50) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL1310240 0.76 GSR (0.50) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL1323618 0.76 GSR (0.50) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL1309368 0.76 GSR (0.50) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL2131918 0.76 GSR (0.50) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL1308683 0.76 GSR (0.50) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL1309450 0.76 GSR (0.50) LTA4HGSRGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL587916 0.75 GSR (0.48) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL855342 0.75 GSR (0.52) LTA4HGSRGNAI3GNAO1GNAI1
SCHEMBL866977 0.75 GSR (0.52) LTA4HGSRGNAI3GNAO1GNAI1

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-114805477-B Synthesis method of L-lysyl-L-tyrosine 武汉桀升生物科技有限公司 2023-07-18 — — CN disclosed