SCHEMBL7130842

SCHEMBL7130842

C#CCC(NC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
TGFBR1 P36897 1/20 0.39
FOLH1 Q04609 4/20 0.38
CAD P27708 1/20 0.33
NAALAD2 Q9Y3Q0 3/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
RIMKLA Q8IXN7 1/20 0.32
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

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
SCHEMBL8300014 0.79 MAPT (0.55) GRIK1GRIK2TGFBR1FOLH1NAALAD2
SCHEMBL30360534 0.79 MAPT (0.55) GRIK1GRIK2TGFBR1FOLH1NAALAD2
SCHEMBL31419252 0.77 NOD1 (0.43) GRIK1GRIK2FOLH1NAALAD2ALDH1A1
SCHEMBL17986767 0.77 NOD1 (0.43) GRIK1GRIK2FOLH1NAALAD2ALDH1A1
SCHEMBL17973543 0.76 ACE (0.43) GRIK1GRIK2FOLH1NAALAD2KDM4E
SCHEMBL13445974 0.74
SCHEMBL12761880 0.74
SCHEMBL28269230 0.74
SCHEMBL18646649 0.74
SCHEMBL29539321 0.73 NOD1 (0.54) GRIK1GRIK2FOLH1SLC1A3SLC1A2

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
JP-2003277343-A NEW N-CARBAMOYL-α-AMINO ACID AND METHOD FOR PRODUCING THE SAME KANEGAFUCHI CHEM IND CO LTD 2003-10-02 JP disclosed