SCHEMBL30452048

SCHEMBL30452048

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.48
OPRM1 P35372 3/20 0.45
ACE P12821 6/20 0.45
REN P00797 4/20 0.45
CTSB P07858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
LTA4H P09960 1/20 0.45
MAPT P10636 1/20 0.45
PEPD P12955 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS1 P23219 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
HRH1 P35367 1/20 0.45
THPO P40225 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL30503060 0.93 ACE (0.52) OPRM1ACERENKDM4EF2
SCHEMBL30116354 0.90 ACE (0.47) CAPN1OPRM1ACERENKDM4E
SCHEMBL31383711 0.90 OPRM1 (0.50) CAPN1OPRM1CTSB
SCHEMBL32681279 0.90 CAPN1 (0.53) CAPN1OPRM1ACERENCTSB
SCHEMBL23854819 0.87 ACE (0.47) CAPN1ACERENKDM4EF2
SCHEMBL23091321 0.87 ACE (0.47) CAPN1ACERENKDM4EF2
SCHEMBL23091320 0.87 ACE (0.47) CAPN1ACERENKDM4EF2
SCHEMBL29380436 0.87 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL29405754 0.87 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL30580545 0.85 CAPN1 (0.48) CAPN1OPRM1

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-116162129-A Croaker swimming bladder polypeptide and application thereof 华南农业大学 2023-05-26 CN claimed
CN-116162129-A Croaker swimming bladder polypeptide and application thereof 华南农业大学 2023-05-26 CN disclosed
CN-116162129-A Croaker swimming bladder polypeptide and application thereof 华南农业大学 2023-05-26 CN disclosed