SCHEMBL7526043

SCHEMBL7526043

CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].[Ru+2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 5/20 0.44
CA1 P00915 2/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
TRPA1 O75762 1/20 0.35
FAHD1 Q6P587 1/20 0.33
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL18095646 1.00 CA4 (0.44) CA4CA1MGAMGAASI
Potassium Ion SCHEMBL3364878 0.97 CA4 (0.47) CA4CA1MGAMGAASI
SCHEMBL1904956 0.94 CA4 (0.44) CA4CA1MGAMGAASI
SCHEMBL3790686 0.94 CA4 (0.44) CA4CA1MGAMGAASI
SCHEMBL1582422 0.94 CA4 (0.44) CA4CA1MGAMGAASI
SCHEMBL4650731 0.94 CA4 (0.44) CA4CA1MGAMGAASI
Silver SCHEMBL2052944 0.94 CA4 (0.44) CA4CA1MGAMGAASI
SCHEMBL4651779 0.94 CA4 (0.44) CA4CA1MGAMGAASI
SCHEMBL21049969 0.94 CA4 (0.44) CA4CA1MGAMGAASI
SCHEMBL4651870 0.94 CA4 (0.44) CA4CA1MGAMGAASI

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-1179525-A1 Process for the preparation of carboxylic acid amides by oxidation of aldehydes in the presence of amines Degussa Aktiengesellschaft (DE) 2002-02-13 EP claimed
EP-1179525-A1 Process for the preparation of carboxylic acid amides by oxidation of aldehydes in the presence of amines Degussa Aktiengesellschaft (DE) 2002-02-13 EP disclosed