SCHEMBL4606302

SCHEMBL4606302

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACE P12821 1/20 0.52
FOLH1 Q04609 1/20 0.48
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
TGFBR1 P36897 2/20 0.41
PTGS1 P23219 2/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
ENPEP Q07075 2/20 0.35

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
SCHEMBL1982855 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL478268 0.82 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1289325 0.82 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL478269 0.82 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9250416 0.82 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13659830 0.78 MAPT (0.69) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18306374 0.78 MAPT (0.69) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9690433 0.78 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2793250 0.78 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1998411 0.77 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1

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
EP-1019084-B1 NOVEL ANTIMICROBIAL POLYPEPTIDE AND METHODS OF USE UNIV FLORIDA (US) 2008-07-09 EP disclosed