SCHEMBL7640602

SCHEMBL7640602

CC(=O)C(CCCc1cccc(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
ELANE P08246 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL7060848 0.93 HCAR2 (0.47) HCAR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7635571 0.88 MAPK1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7636121 0.87 ALDH1A1 (0.53) ELANEALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL7642010 0.86 SLC2A1 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7640063 0.84 MTNR1A (0.52) ALDH1A1MAOB
SCHEMBL7636833 0.84 SLC2A1 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7638634 0.83 ALDH1A1 (0.51) ELANEALDH1A1MAPTKMT2ALMNA
SCHEMBL7635800 0.82 ALDH1A1 (0.50) ELANEALDH1A1MAPTLMNA
SCHEMBL7644686 0.82 ALDH1A1 (0.50) ELANEALDH1A1MAPTLMNA
SCHEMBL11202312 0.81 MAPK1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1

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