SCHEMBL4866538

SCHEMBL4866538

CC(N)CNC(CS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
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
ENPEP Q07075 4/20 0.42
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
FOLH1 Q04609 1/20 0.38

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
SCHEMBL4866546 1.00 ACE (0.48) ACEKDM4EMAPTTHRBALOX15
SCHEMBL2230393 0.83 MAPT (0.52) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29649175 0.83 MAPT (0.52) ACEKDM4EMAPTTHRBALOX15
SCHEMBL2230396 0.83 MAPT (0.52) ACEKDM4EMAPTTHRBALOX15
Hydrochloric Acid SCHEMBL1926275 0.82 MAPT (0.50) ACEKDM4EMAPTTHRBALOX15
Hydrochloric Acid SCHEMBL1926272 0.82 MAPT (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL28653676 0.81 KDM4E (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL7854879 0.80 GABRP (0.39) ENPEP
SCHEMBL1396855 0.79 KDM4E (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL1396852 0.79 KDM4E (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402407-B1 Chemically targeted positional identification of post-translationally phosphorylated peptides CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-07-22 US disclosed