SCHEMBL7636045

SCHEMBL7636045

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
UTS2R Q9UKP6 14/20 0.39
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 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
SCHEMBL7633374 0.88 AOC3 (0.43) AOC3UTS2RBRD4L3MBTL1
SCHEMBL7640630 0.86 TSHR (0.39) MEN1KMT2A
SCHEMBL7636094 0.85 AOC3 (0.41) AOC3UTS2RBRD4L3MBTL1MEN1
SCHEMBL7639739 0.80 ELANE (0.43) AOC3UTS2RL3MBTL1
SCHEMBL7635000 0.78 STAT3 (0.38) UTS2RL3MBTL1MEN1KMT2A
SCHEMBL7062574 0.78 MEN1 (0.41) MEN1KMT2A
SCHEMBL7634915 0.78 AOC3 (0.37) AOC3UTS2RL3MBTL1MEN1KMT2A
SCHEMBL7633372 0.77 TSHR (0.40) MEN1KMT2A
SCHEMBL7633359 0.76 AOC3 (0.42) AOC3UTS2RL3MBTL1MEN1KMT2A
SCHEMBL7637377 0.73 KMT2A (0.49) MEN1KMT2A

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