SCHEMBL30997361

SCHEMBL30997361

CSCC[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 7/20 0.44
▸ FNTB P49356 7/20 0.44
▸ PGGT1B P53609 3/20 0.44
▸ LTA4H P09960 1/20 0.39
▸ CCKAR P32238 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ GNPAT O15228 1/20 0.38
▸ TACR3 P29371 1/20 0.38

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
SCHEMBL30051686 0.89 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL29496724 0.86 CA2 (0.46) —
SCHEMBL29630579 0.86 FOLH1 (0.48) FNTAFNTBPGGT1B
SCHEMBL29363097 0.85 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL31412197 0.84 FNTA (0.41) FNTAFNTBPGGT1BCCKBR
SCHEMBL29536211 0.83 GNPAT (0.50) FNTAFNTBPGGT1BLTA4HGNPAT
SCHEMBL29630687 0.83 GNPAT (0.50) FNTAFNTBPGGT1BLTA4HGNPAT
SCHEMBL31402734 0.83 NOD1 (0.46) GNPAT
SCHEMBL29365789 0.83 ECE1 (0.45) FNTAFNTBPGGT1BLTA4HGNPAT
SCHEMBL10523396 0.83 FNTA (0.42) FNTAFNTBPGGT1BCCKARCCKBR

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-118226041-A Screening method suitable for oral small molecule peptide 上海市第六人民医院 2024-06-21 — — CN disclosed
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