SCHEMBL7061545

SCHEMBL7061545

O=C(OCc1ccccc1)C(CCc1ccccc1)=NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 6/20 0.47
KEAP1 Q14145 1/20 0.47
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAPK1 P28482 2/20 0.46
SLC6A3 Q01959 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTBP2 P56545 1/20 0.46
SLC6A2 P23975 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL7056964 0.92 MEN1 (0.50) TDP1ALDH1A1FFAR1FFAR4L3MBTL1
SCHEMBL7058664 0.92 LMNA (0.47) TDP1ALDH1A1FFAR1FFAR4CTBP2
SCHEMBL7056959 0.92 MEN1 (0.50) TDP1ALDH1A1FFAR1FFAR4L3MBTL1
SCHEMBL7058666 0.92 LMNA (0.47) TDP1ALDH1A1FFAR1FFAR4CTBP2
SCHEMBL7642801 0.91 HDAC1 (0.54) TDP1ALDH1A1MAPK1SLC6A3L3MBTL1
SCHEMBL7634813 0.89 MAPT (0.54) ALDH1A1MAPK1SLC6A3L3MBTL1CTBP2
SCHEMBL7057254 0.89 NPC1 (0.55) ALDH1A1FFAR1FFAR4L3MBTL1CTBP2
SCHEMBL7643133 0.88 MAPT (0.57) ALDH1A1MAPK1SLC6A3HDAC2HDAC8
SCHEMBL7641958 0.88 MAPT (0.57) ALDH1A1MAPK1SLC6A3HDAC2HDAC8
SCHEMBL7059112 0.87 CTBP2 (0.52) ALDH1A1FFAR1FFAR4CTBP2KMT2A

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