SCHEMBL7638396

SCHEMBL7638396

COC(=O)C(/C=N\O)CCC(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 2/20 0.38
RIPK1 Q13546 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7640721 0.88 ALDH1A1 (0.43) GAAKMT2AALDH1A1HPGDMEN1
SCHEMBL7635576 0.88 TSHR (0.38) GAAKMT2AALDH1A1HPGDRIPK1
SCHEMBL7639029 0.85 GAA (0.44) GAAKMT2AALDH1A1PTGS1PTGS2
SCHEMBL7640315 0.85 ALDH1A1 (0.42) KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL7060200 0.80 GAA (0.49) GAAKMT2AALDH1A1HPGDMEN1
SCHEMBL7644261 0.78 GAA (0.47) GAAKMT2AMEN1
SCHEMBL7640599 0.77 TDP1 (0.51) GAAKMT2AALDH1A1HPGDMEN1
SCHEMBL7640035 0.77 GAA (0.46) GAAKMT2AALDH1A1HPGD
SCHEMBL7641723 0.76 FAAH (0.46) GAAMAPT
SCHEMBL7636848 0.76 FAAH (0.46) GAAMAPT

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