SCHEMBL29461589

SCHEMBL29461589

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.56
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
FOLH1 Q04609 1/20 0.38
MME P08473 9/20 0.38
PTGS1 P23219 2/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37

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
SCHEMBL30710174 0.91 ACE (0.47) ACEKDM4EMAPTTHRBALOX15
SCHEMBL31412163 0.91 ACE (0.47) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30011166 0.90 ACE (0.59) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30011175 0.90 ACE (0.59) ACEKDM4EMAPTTHRBALOX15
SCHEMBL19934813 0.90 ACE (0.59) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30010893 0.90 ACE (0.59) ACEKDM4EMAPTTHRBALOX15
SCHEMBL20553920 0.90 ACE (0.56) ACEKDM4EMAPTTHRBALOX15
SCHEMBL20553917 0.90 ACE (0.56) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30931518 0.90 ACE (0.51) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30552712 0.89 MME (0.47) ACEPDCD1LG2CD274MME

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112094316-B High-zinc-chelating-activity zinc chelating peptide with Ser and Cys arranged at two ends and application thereof 安徽省农业科学院农产品加工研究所 2022-04-08 CN disclosed
CN-112094316-B High-zinc-chelating-activity zinc chelating peptide with Ser and Cys arranged at two ends and application thereof 安徽省农业科学院农产品加工研究所 2022-04-08 CN disclosed
CN-111925411-B Cys-Ser-containing high-zinc-chelating-activity zinc chelating peptide and application thereof 安徽省农业科学院农产品加工研究所 2022-04-08 CN disclosed
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