SCHEMBL7633359

SCHEMBL7633359

COC(CCC(=O)C(=O)OC(C)C)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
UTS2R Q9UKP6 15/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7643119 0.87 AOC3 (0.45) AOC3UTS2RL3MBTL1
SCHEMBL7636505 0.86 TSHR (0.41) MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7634918 0.84 AOC3 (0.39) AOC3UTS2RMEN1KMT2AL3MBTL1
SCHEMBL7641996 0.83 SMN1; SMN2 (0.43) AOC3UTS2RMEN1KMT2AL3MBTL1
SCHEMBL639174 0.79 AOC3 (0.49) AOC3UTS2RMEN1KMT2A
SCHEMBL7642407 0.78 UTS2R (0.42) AOC3UTS2RMEN1KMT2AL3MBTL1
SCHEMBL640702 0.78 AOC3 (0.47) AOC3UTS2RL3MBTL1
SCHEMBL7640867 0.76 UTS2R (0.37) UTS2RSMN1; SMN2
SCHEMBL7636045 0.76 AOC3 (0.40) AOC3UTS2RMEN1KMT2AL3MBTL1
SCHEMBL639882 0.75 HDAC4 (0.45) AOC3

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