SCHEMBL28333404

SCHEMBL28333404

CCOC(=O)CC(C#N)(C#N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 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
SCHEMBL12715665 0.92 GAA (0.46) ALDH1A1GAATSHRMGAMSI
SCHEMBL28333405 0.79 ALDH1A1 (0.39) ALDH1A1TSHREGLN1KDM4ELMNA
SCHEMBL4868566 0.79 MEN1 (0.39) ALDH1A1GAATSHRMGAMSI
SCHEMBL4869286 0.77 KMT2A (0.38) ALDH1A1GAATSHRMGAMSI
SCHEMBL17187097 0.76 HMGCR (0.39) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL17034713 0.75 GAA (0.44) ALDH1A1GAATSHRMGAMSI
SCHEMBL4869552 0.75 GAA (0.44) ALDH1A1GAATSHRMGAMSI
SCHEMBL13865867 0.73 GAA (0.43) ALDH1A1GAATSHRMGAMSI
SCHEMBL15445438 0.73 GAA (0.43) ALDH1A1GAATSHRMGAMSI
SCHEMBL7841654 0.72 GAA (0.46) ALDH1A1GAATSHRMGAMSI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483428-A The synthetic method and application of bis- tetrazolium -1,5- glutaric acid of 3,3- and its lanthanum Dinuclear Copper Complex CHANGSHU INST TECH 2019-11-22 CN claimed
CN-110483428-A The synthetic method and application of bis- tetrazolium -1,5- glutaric acid of 3,3- and its lanthanum Dinuclear Copper Complex CHANGSHU INST TECH 2019-11-22 CN disclosed