SCHEMBL7634809

SCHEMBL7634809

COC(=O)C(/C=N\O)CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
MIF P14174 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
FOLH1 Q04609 1/20 0.31
CA14 Q9ULX7 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ZDHHC7 Q9NXF8 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
SCHEMBL7634067 0.89 PTPN1 (0.36) GAASMN1; SMN2MIFCA1CA2
SCHEMBL7643886 0.89 ZDHHC7 (0.35) GAASMN1; SMN2MIFCA1CA2
SCHEMBL7641292 0.88 ZDHHC7 (0.38) GAAMIFCA1CA2FOLH1
SCHEMBL7636882 0.84 TDP1 (0.33) TDP1
SCHEMBL7634034 0.84 NPSR1 (0.32) GAASMN1; SMN2
SCHEMBL7644521 0.83 CA1 (0.40) GAASMN1; SMN2MIFCA1CA2
SCHEMBL7641192 0.80 CA1 (0.50) GAACA1CA2TDP1ZDHHC7
SCHEMBL7637003 0.79 ZDHHC7 (0.50) GAACA1CA2ZDHHC7
SCHEMBL7637924 0.77 ZDHHC7 (0.53) CA1CA2ZDHHC7
SCHEMBL7636000 0.77 ZDHHC7 (0.53) CA1CA2ZDHHC7

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
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed