SCHEMBL5579254

SCHEMBL5579254

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.60
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
PTGS2 P35354 1/20 0.55
THPO P40225 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTGS1 P23219 2/20 0.54
SLC7A11 Q9UPY5 1/20 0.54
FOLH1 Q04609 1/20 0.47
GSTK1 Q9Y2Q3 1/20 0.44
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
PGGT1B P53609 3/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL296932 1.00 ACE (0.60) ACEKDM4EMAPTTHRBALOX15
SCHEMBL296933 1.00 ACE (0.60) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29663240 1.00 ACE (0.60) ACEKDM4EMAPTTHRBALOX15
SCHEMBL5665364 0.96 ACE (0.56) ACEKDM4EMAPTTHRBALOX15
SCHEMBL16770240 0.96 ACE (0.56) ACEKDM4EMAPTTHRBALOX15
SCHEMBL22969994 0.96 ACE (0.56) ACEKDM4EMAPTTHRBALOX15
SCHEMBL7072854 0.96 ACE (0.56) ACEKDM4EMAPTTHRBALOX15
SCHEMBL6809797 0.96 ACE (0.56) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29461530 0.91 ACE (0.51) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30011698 0.91 ACE (0.51) ACEKDM4EMAPTTHRBALOX15

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-117186186-A Novel cyclic peptide compound and synthetic method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
US-20070218525-A1 Process for Producing Dipeptides KYOWA HAKKO KOGYO CO., LTD. 2007-09-20 US disclosed
EP-1736540-A1 PROCESS FOR PRODUCING DIPEPTIDES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-12-27 EP disclosed