SCHEMBL7635571

SCHEMBL7635571

CCOC(=O)C(CCCc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 1/20 0.43
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC2A1 P11166 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MAOB P27338 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL11210243 0.93 MAPK1 (0.54) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7061966 0.92 MAPK1 (0.46) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL11202312 0.91 MAPK1 (0.49) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7642010 0.88 SLC2A1 (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2SLC2A1
SCHEMBL7640602 0.88 HCAR2 (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2MAOB
SCHEMBL7636833 0.86 SLC2A1 (0.43) MAPK1TSHRALDH1A1MAPTKMT2A
SCHEMBL18473844 0.85 MAPK1 (0.52) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL2422785 0.84 MMP8 (0.49) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL2422561 0.84 TDP1 (0.56) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7642003 0.84 MAPK1 (0.62) MAPK1L3MBTL1TDP1TSHRALDH1A1

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