SCHEMBL8582202

SCHEMBL8582202

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 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
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.37
GNPAT O15228 1/20 0.36
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL12963378 0.82 MAPT (0.61) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL13322047 0.82 MAPT (0.61) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL11382604 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL7436963 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL8582124 0.80 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL8581730 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL10308716 0.79 KDM4E (0.46) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL19709025 0.79 KDM4E (0.46) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL9521985 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL30052623 0.78 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4ETHRBALOX15

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