SCHEMBL29547044

SCHEMBL29547044

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.53
▸ REN P00797 4/20 0.53
▸ LMNA P02545 2/20 0.50
▸ ACE2 Q9BYF1 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PEPD P12955 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ RAB9A P51151 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
SCHEMBL29666867 0.98 ACE (0.51) ACERENLMNAACE2KDM4E
SCHEMBL10733124 0.91 ACE (0.61) ACERENLMNAACE2KDM4E
SCHEMBL7757811 0.91 ACE (0.61) ACERENLMNAACE2KDM4E
SCHEMBL9705671 0.90 ACE (0.48) ACERENLMNAACE2KDM4E
SCHEMBL27953019 0.90 ACE (0.48) ACERENLMNAACE2KDM4E
SCHEMBL9705665 0.90 ACE (0.48) ACERENLMNAACE2KDM4E
SCHEMBL30008142 0.89 ACE (0.51) ACERENLMNAACE2KDM4E
SCHEMBL29351055 0.89 ACE (0.51) ACERENLMNAACE2KDM4E
SCHEMBL29666768 0.88 ACE (0.46) ACERENLMNAACE2KDM4E
SCHEMBL29666870 0.88 ACE (0.52) ACERENLMNAACE2KDM4E

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-111909238-B High-zinc-chelation-activity zinc chelating peptide containing Ser-Cys and application thereof 安徽省农业科学院农产品加工研究所 2022-04-08 — — CN disclosed
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