SCHEMBL5489210

SCHEMBL5489210

COC(CC(N)=O)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRAT P43155 1/20 0.32
ALDH1A1 P00352 3/20 0.31
ECE1 P42892 2/20 0.31
CRBN Q96SW2 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL7974788 0.76 CA1 (0.44) GAA
SCHEMBL1618298 0.76
SCHEMBL468895 0.73 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL468894 0.73 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20245188 0.71 MTNR1A (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7527112 0.71 ALDH1A1 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20244923 0.70 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL21327759 0.70 ALOX15 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13637922 0.70 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14499478 0.70 KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186859-B2 Uses for amino acid anticonvulsants RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2007-03-06 US claimed