SCHEMBL7060848

SCHEMBL7060848

CC(=O)C(CCc1cccc(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ELANE P08246 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
METAP2 P50579 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
MASP2 O00187 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 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
SCHEMBL7640602 0.93 HCAR2 (0.45) HCAR2IDO1TDO2ELANEALDH1A1
SCHEMBL7061966 0.87 MAPK1 (0.46) IDO1TDO2ALDH1A1HPGDMEN1
SCHEMBL7059056 0.87 PPARA (0.49) ELANEALDH1A1MEN1KMT2AHTT
SCHEMBL7059676 0.86 ALDH1A1 (0.56) HCAR2ELANEALDH1A1KMT2ASMN1; SMN2
SCHEMBL7056922 0.85 TAAR1 (0.45) IDO1TDO2ALDH1A1HPGDMEN1
SCHEMBL7061734 0.83 HPGD (0.44) IDO1TDO2ALDH1A1HPGDMEN1
SCHEMBL7055441 0.82 TACR1 (0.46) ELANEALDH1A1SMN1; SMN2MAOAMETAP2
SCHEMBL7060399 0.81 PRKCA (0.47) ALDH1A1MEN1KMT2AMAOBFFAR1
SCHEMBL7062438 0.80 MTNR1A (0.51) ALDH1A1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL18473844 0.80 MAPK1 (0.52) IDO1TDO2ALDH1A1HPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
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