SCHEMBL29419675

SCHEMBL29419675

C[C@H](N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 6/20 0.47
▸ NMT2 O60551 5/20 0.47
▸ PTGS1 P23219 1/20 0.43
▸ GSTK1 Q9Y2Q3 1/20 0.43
▸ GNPAT O15228 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ TLR2 O60603 2/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.36
▸ SLC15A2 Q16348 1/20 0.36

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
SCHEMBL30753565 0.89 NMT1 (0.54) NMT1NMT2NOD1FOLH1TLR2
SCHEMBL29367996 0.86 NMT1 (0.47) NMT1NMT2GNPATFOLH1TLR2
SCHEMBL31433320 0.84 FURIN (0.45) NMT1NMT2
SCHEMBL30186418 0.84 PTGS1 (0.51) NMT1NMT2PTGS1GSTK1NOD1
SCHEMBL29769744 0.83 NMT1 (0.54) NMT1NMT2NOD1FOLH1TLR2
SCHEMBL30834012 0.83 NMT1 (0.48) NMT1NMT2PTGS1GSTK1TLR2
SCHEMBL30887359 0.83 NMT1 (0.45) NMT1NMT2PTGS1GSTK1GNPAT
SCHEMBL30834018 0.83 PTGS1 (0.48) NMT1NMT2PTGS1GSTK1TLR2
SCHEMBL30887360 0.83 NMT1 (0.45) NMT1NMT2PTGS1GSTK1GNPAT
SCHEMBL30788344 0.82 PTGS1 (0.50) NMT1NMT2PTGS1GSTK1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149490-B Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2023-10-27 — — CN disclosed
CN-114149490-B Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2023-10-27 — — CN disclosed
CN-114149490-A Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2022-03-08 — — CN disclosed
CN-114149490-A Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2022-03-08 — — CN disclosed
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