SCHEMBL31171909

SCHEMBL31171909

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.46
▸ NPY1R P25929 2/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ ACE P12821 6/20 0.42
▸ REN P00797 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PEPD P12955 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ PMP22 Q01453 1/20 0.40

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
SCHEMBL32672659 0.87 XIAP (0.50) XIAPNPY1RNPY2RNPY4RNPY5R
SCHEMBL29823571 0.85 XIAP (0.47) XIAPNPY1RNPY2RNPY4RNPY5R
SCHEMBL30692365 0.84 ACE (0.51) XIAPACERENKDM4EF2
SCHEMBL29723864 0.83 ACE (0.48) XIAPACERENKDM4EF2
SCHEMBL29575481 0.83 XIAP (0.48) XIAPACERENKDM4EF2
SCHEMBL30051744 0.83 XIAP (0.54) XIAPACERENKDM4EF2
SCHEMBL29630627 0.83 ACE (0.49) XIAPNPY1RNPY2RNPY4RNPY5R
SCHEMBL30051358 0.82 ACE (0.48) XIAPACERENKDM4EF2
SCHEMBL30051254 0.82 XIAP (0.53) XIAPACERENKDM4EF2
SCHEMBL29510749 0.81 ACE (0.53) ACERENKDM4EF2LMNA

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-118852383-A Application of abalone viscera protein peptide 集美大学 2024-10-29 — — CN disclosed
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