SCHEMBL7634847

SCHEMBL7634847

CC(C)OC(=O)C(/C=N\O)CCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40
PARP10 Q53GL7 1/20 0.38
RECQL P46063 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KCNA3 P22001 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
GPR88 Q9GZN0 1/20 0.37

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
SCHEMBL7640106 0.96 TDP1 (0.45) TDP1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL7641867 0.95 TDP1 (0.44) TDP1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL7638988 0.95 TDP1 (0.44) TDP1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL7640599 0.87 TDP1 (0.51) TDP1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL7643137 0.86 TDP1 (0.64) TDP1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL7644563 0.85 MEN1 (0.47) TDP1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL7640036 0.83 SMN1; SMN2 (0.47) TDP1HPGDALDH1A1L3MBTL1ALOX5
SCHEMBL7642378 0.83 TDP1 (0.47) TDP1HPGDMAPTL3MBTL1THRB
SCHEMBL7642318 0.83 TSHR (0.43) HPGDKMT2APKM
SCHEMBL7640294 0.82 TSHR (0.42) HPGDALDH1A1KMT2APKM

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