SCHEMBL7643137

SCHEMBL7643137

CCOC(=O)C(/C=N\O)CCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.64
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 5/20 0.48
MAPK1 P28482 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
RECQL P46063 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL7641285 0.96 TDP1 (0.59) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7640336 0.95 TDP1 (0.58) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7640346 0.95 TDP1 (0.58) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7640599 0.88 TDP1 (0.51) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7634847 0.86 TDP1 (0.49) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7642341 0.86 TDP1 (0.46) TDP1L3MBTL1MAPK1TSHRALDH1A1
SCHEMBL7638942 0.86 MEN1 (0.59) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7642378 0.84 TDP1 (0.47) TDP1MEN1KMT2AL3MBTL1TSHR
SCHEMBL7636025 0.84 L3MBTL1 (0.53) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7643102 0.83 TDP1 (0.46) TDP1L3MBTL1MAPTGAARAB9A

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