SCHEMBL31380447

SCHEMBL31380447

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.65
GNPAT O15228 1/20 0.55
HPGD P15428 1/20 0.53
MMP1 P03956 1/20 0.53
MMP8 P22894 1/20 0.53
FOLH1 Q04609 6/20 0.51
MME P08473 1/20 0.50
CTSC P53634 2/20 0.48

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
SCHEMBL30692733 1.00 NAALAD2 (0.65) NAALAD2GNPATHPGDMMP1MMP8
SCHEMBL29488057 1.00 NAALAD2 (0.65) NAALAD2GNPATHPGDMMP1MMP8
SCHEMBL2520307 0.92 NAALAD2 (0.56) NAALAD2GNPATMME
SCHEMBL2520304 0.92 NAALAD2 (0.56) NAALAD2GNPATMME
SCHEMBL30533112 0.91 NAALAD2 (0.61) NAALAD2HPGDFOLH1MME
SCHEMBL8068319 0.89 MME (0.61) GNPATMMECTSC
SCHEMBL8068326 0.89 MME (0.61) GNPATMMECTSC
SCHEMBL31607204 0.88 MME (0.55) NAALAD2GNPATMMECTSC
SCHEMBL29574387 0.87 MME (0.56) NAALAD2MMECTSC
SCHEMBL27450014 0.87 MME (0.56) NAALAD2MMECTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708123-A Sesame flavor peptide with antioxidant activity and application thereof 武汉轻工大学 2025-03-28 CN claimed
CN-119708123-A Sesame flavor peptide with antioxidant activity and application thereof 武汉轻工大学 2025-03-28 CN disclosed
CN-119708123-A Sesame flavor peptide with antioxidant activity and application thereof 武汉轻工大学 2025-03-28 CN disclosed