SCHEMBL7633374

SCHEMBL7633374

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BRD4 O60885 1/20 0.41
UTS2R Q9UKP6 5/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7636094 0.89 AOC3 (0.41) AOC3L3MBTL1BRD4UTS2R
SCHEMBL7636045 0.88 AOC3 (0.40) AOC3L3MBTL1BRD4UTS2R
SCHEMBL7637377 0.85 KMT2A (0.49) SLC6A2
SCHEMBL7639739 0.83 ELANE (0.43) AOC3L3MBTL1UTS2RCNR2
SCHEMBL7055394 0.78 GAA (0.42) L3MBTL1UTS2RACHECNR2
SCHEMBL7640914 0.76 L3MBTL1 (0.39) L3MBTL1UTS2RACHE
SCHEMBL640702 0.76 AOC3 (0.47) AOC3L3MBTL1UTS2RCNR2
SCHEMBL7641326 0.76 L3MBTL1 (0.40) AOC3L3MBTL1UTS2RSLC6A2SLC6A4
SCHEMBL7642328 0.74 KMT2A (0.46) L3MBTL1
SCHEMBL7635745 0.74 TDP1 (0.47) L3MBTL1

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