SCHEMBL5282039

SCHEMBL5282039

O=C(O)CC(NN1CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA4 P22748 1/20 0.40
MME P08473 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CASP3 P42574 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
FOLH1 Q04609 1/20 0.33
RIMKLA Q8IXN7 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
POLB P06746 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
SCHEMBL5282044 1.00 CA2 (0.40) CA2CA4MMETDP1GAA
SCHEMBL28212550 0.92 MME (0.40) CA2CA4MMETDP1GAA
SCHEMBL28432618 0.90 MME (0.41) CA2CA4MMETDP1GAA
SCHEMBL28197295 0.76 GAA (0.36) CA2CA4MMETDP1GAA
SCHEMBL30645305 0.75 ITGB2 (0.39) CA2MAPTCA1
SCHEMBL8934928 0.72 FOLH1 (0.46) TDP1GAASMN1; SMN2FOLH1RIMKLA
SCHEMBL10378031 0.72 ITGB3 (0.34) CASP3POLB
SCHEMBL25386615 0.72 POLB (0.56) MMEFOLH1NAALAD2POLB
SCHEMBL11143392 0.72 FOLH1 (0.50) TDP1GAASMN1; SMN2FOLH1RIMKLA
SCHEMBL3381781 0.72 CA2 (0.45) CA2CA4MMETDP1GAA

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
EP-1627868-B1 Aspartic ester functional compounds BAYER MATERIALSCIENCE LLC (US) 2007-12-19 EP claimed