SCHEMBL7634044

SCHEMBL7634044

CCOC(=O)C(CCC(OC)c1ccc(Cl)cc1)=NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AOC3 Q16853 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 1/20 0.38
UTS2R Q9UKP6 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CTBP2 P56545 1/20 0.35

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
SCHEMBL7641329 0.88 AOC3 (0.41) AOC3UTS2RMEN1KMT2AL3MBTL1
SCHEMBL7635302 0.87 APOBEC3A (0.43) KYAT1SMN1; SMN2ALDH1A1GAAAPOBEC3A
SCHEMBL7635297 0.87 APOBEC3A (0.43) KYAT1SMN1; SMN2ALDH1A1GAAAPOBEC3A
SCHEMBL7634918 0.85 AOC3 (0.39) AOC3UTS2RMEN1KMT2AL3MBTL1
SCHEMBL7638327 0.85 UTS2R (0.40) ALDH1A1MAPTUTS2RMEN1KMT2A
SCHEMBL7641996 0.84 SMN1; SMN2 (0.43) KYAT1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL7640366 0.78 KYAT1 (0.39) KYAT1SMN1; SMN2GAAAPOBEC3AAPOBEC3G
SCHEMBL7062418 0.76 KYAT1 (0.48) KYAT1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL7062416 0.76 KYAT1 (0.48) KYAT1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL639174 0.75 AOC3 (0.49) AOC3UTS2RMEN1KMT2AFFAR1

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