SCHEMBL31374694

SCHEMBL31374694

CC(C)(C)OC(=O)N([C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 1/20 0.46
▸ GNPAT O15228 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.43
▸ ITGB3 P05106 5/20 0.42
▸ ITGA2B P08514 5/20 0.42
▸ CPB2 Q96IY4 2/20 0.42
▸ CPB1 P15086 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ ACE P12821 1/20 0.41
▸ ANPEP P15144 1/20 0.41

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
SCHEMBL28624841 0.85 AKT1 (0.51) GNPATMMP1MMP3ACE
SCHEMBL31374735 0.85 FOLH1 (0.55) CPB2CPB1
SCHEMBL19819283 0.83 GNPAT (0.43) ECE1GNPATERAP2LNPEPMMP1
SCHEMBL19819284 0.83 GNPAT (0.43) ECE1GNPATERAP2LNPEPMMP1
SCHEMBL3789933 0.81 CTSS (0.59) ECE1GNPATACE
SCHEMBL29839818 0.81 CTSS (0.59) ECE1GNPATACE
SCHEMBL3789929 0.81 CTSS (0.59) ECE1GNPATACE
SCHEMBL11038196 0.79 ACE (0.60) GNPATITGB3ITGA2BACE
SCHEMBL11038198 0.79 ACE (0.60) GNPATITGB3ITGA2BACE
SCHEMBL9495487 0.77 CTSS (0.55) ECE1GNPATACE

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-113301920-B Complexes comprising a ligand, a spacer, a peptide linker and a biomolecule 安斯泰来制药株式会社 2025-01-14 — — CN disclosed
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