SCHEMBL8582199

SCHEMBL8582199

CC(=O)C[C@@H](NC(C)=O)C(=O)S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
GNPAT O15228 1/20 0.33
CRAT P43155 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL10308716 0.81 KDM4E (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19709025 0.81 KDM4E (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8582123 0.79 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13188770 0.79 KDM4E (0.68) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13322047 0.79 MAPT (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12963378 0.79 MAPT (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2548081 0.79 MAPT (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24967258 0.78 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9521978 0.77 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8581718 0.77 MGAM (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705527-A VASODILATORS AND ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1998-01-06 US disclosed
EP-0641769-B1 AMINO ACID DERIVATIVE SANKYO CO (JP) 1997-01-29 EP disclosed
EP-0641769-A1 AMINO ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 EP disclosed