SCHEMBL7055596

SCHEMBL7055596

CC(C)COC(=O)C(CCc1ccccc1)=NO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.42
CTBP2 P56545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1C3 P42330 1/20 0.40
ABCB1 P08183 4/20 0.39

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
SCHEMBL7058582 0.84 L3MBTL1 (0.50) TDP1ALDH1A1KEAP1CTBP2MEN1
SCHEMBL7061688 0.82 TSHR (0.49) TDP1ALDH1A1TSHRKEAP1CTBP2
SCHEMBL7061750 0.82 TDP1 (0.50) TDP1ALDH1A1TSHRKEAP1MEN1
SCHEMBL7061545 0.82 TDP1 (0.50) TDP1ALDH1A1KEAP1CTBP2KMT2A
SCHEMBL7058747 0.82 TDP1 (0.54) TDP1ALDH1A1TSHRKEAP1CTBP2
SCHEMBL7057058 0.81 TDP1 (0.50) TDP1ALDH1A1KEAP1CTBP2HPGD
SCHEMBL8624512 0.80 ALDH1A1 (0.50) TDP1ALDH1A1KEAP1CTBP2FFAR1
SCHEMBL7060202 0.80 ALDH1A1 (0.50) TDP1ALDH1A1KEAP1CTBP2FFAR1
SCHEMBL7061774 0.80 TDP1 (0.45) TDP1ALDH1A1KEAP1CTBP2MEN1
SCHEMBL7061411 0.79 ALDH1A1 (0.42) TDP1ALDH1A1TSHRKEAP1CTBP2

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