SCHEMBL30596283

SCHEMBL30596283

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.45
▸ ACE P12821 7/20 0.44
▸ REN P00797 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PEPD P12955 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ XIAP P98170 1/20 0.43
▸ MLX Q9UH92 1/20 0.43

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
SCHEMBL30399601 0.94 ACE (0.45) ACERENKDM4EF2LMNA
SCHEMBL30051863 0.94 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL30596290 0.91 CALCRL (0.51) CALCRLACEREN
SCHEMBL31316161 0.91 XIAP (0.48) CALCRLACERENKDM4EF2
SCHEMBL32677437 0.91 ACE (0.44) CALCRLACERENKDM4EF2
SCHEMBL30661442 0.88 MEN1 (0.45) ACERENKDM4EF2LMNA
Trifluoroacetic Acid SCHEMBL7313892 0.88 ELANE (0.47) ACERENKDM4EF2LMNA
SCHEMBL32667928 0.87 ACE (0.44) CALCRLACERENKDM4EF2
SCHEMBL29351055 0.87 ACE (0.51) ACERENKDM4EF2LMNA
SCHEMBL30008142 0.87 ACE (0.51) 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-116836223-A Prinsepia utilis royle active peptide composition and new application thereof 昆明理工大学 2023-10-03 — — CN claimed
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