SCHEMBL7057058

SCHEMBL7057058

CCCOC(=O)C(CCc1ccccc1)=NO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KEAP1 Q14145 1/20 0.43
CTBP2 P56545 1/20 0.42
HPGD P15428 1/20 0.41
FFAR1 O14842 1/20 0.41
HDAC3 O15379 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7062414 0.92 TDP1 (0.48) TDP1LMNAALDH1A1GAAL3MBTL1
SCHEMBL7057051 0.90 HPGD (0.48) TDP1LMNAALDH1A1L3MBTL1HPGD
SCHEMBL7058747 0.89 TDP1 (0.54) TDP1LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7061265 0.89 TSHR (0.48) TDP1LMNAALDH1A1L3MBTL1HPGD
SCHEMBL7058582 0.88 L3MBTL1 (0.50) TDP1ALDH1A1SMN1; SMN2L3MBTL1KEAP1
SCHEMBL7061545 0.83 TDP1 (0.50) TDP1LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8624512 0.81 ALDH1A1 (0.50) TDP1LMNAALDH1A1KEAP1CTBP2
SCHEMBL3919269 0.81 TDP1 (0.56) TDP1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL7060202 0.81 ALDH1A1 (0.50) TDP1LMNAALDH1A1KEAP1CTBP2
SCHEMBL7055596 0.81 TDP1 (0.45) TDP1ALDH1A1SMN1; SMN2KEAP1CTBP2

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