SCHEMBL2180353

SCHEMBL2180353

CC(O)C(=O)OC(CC(=O)O)C(=O)O.[CaH2]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
FOLH1 Q04609 6/20 0.32
LAP3 P28838 2/20 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
SCHEMBL11855836 0.98 TP53 (0.37) TP53SMN1; SMN2SLC22A6PRSS1TMPRSS15
SCHEMBL726981 0.98 TP53 (0.40) TP53SMN1; SMN2SLC22A6PRSS1TMPRSS15
SCHEMBL11856851 0.96 TP53 (0.39) TP53SMN1; SMN2SLC22A6PRSS1TMPRSS15
SCHEMBL11080323 0.83 TDP1 (0.37) SMN1; SMN2SLC22A6PRSS1TMPRSS15TDP1
SCHEMBL25255556 0.82 SMN1; SMN2 (0.39) SMN1; SMN2SLC22A6PRSS1TMPRSS15TDP1
SCHEMBL2550509 0.81 LAP3 (0.37) SMN1; SMN2SLC22A6PRSS1TMPRSS15LAP3
SCHEMBL1179759 0.79 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6PRSS1TMPRSS15TDP1
SCHEMBL24430 0.79 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6PRSS1TMPRSS15TDP1
SCHEMBL28443359 0.78 SMN1; SMN2 (0.33) SMN1; SMN2SLC22A6PRSS1TMPRSS15TDP1
Ammonia Solution, Strong SCHEMBL2586848 0.78 SMN1; SMN2 (0.50) SMN1; SMN2SLC22A6PRSS1TMPRSS15TDP1

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
EP-2521461-A1 STABILIZATION OF CITRUS FRUIT BEVERAGES COMPRISING SOY PROTEIN Burcon Nutrascience (MB) Corp. (CA) 2012-11-14 EP disclosed
WO-2011079398-A1 STABILIZATION OF CITRUS FRUIT BEVERAGES COMPRISING SOY PROTEIN BURCON NUTRASCIENCE (MB) CORP. (CA) 2011-07-07 WO disclosed