SCHEMBL7635000

SCHEMBL7635000

CC(=O)C(CCC(OC(C)C)c1ccc(C)cc1)C(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
UTS2R Q9UKP6 2/20 0.36
ACHE P22303 1/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
ABHD10 Q9NUJ1 1/20 0.32

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
SCHEMBL7640914 0.89 L3MBTL1 (0.39) STAT3UTS2RACHEALOX5MEN1
SCHEMBL7641879 0.89 MEN1 (0.46) STAT3UTS2RACHEALOX5MEN1
SCHEMBL7633372 0.87 TSHR (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL7641755 0.82 ALDH1A1 (0.42) ALOX5FFAR1
SCHEMBL7636045 0.78 AOC3 (0.40) UTS2RMEN1KMT2AL3MBTL1
SCHEMBL7640630 0.78 TSHR (0.39) MEN1KMT2A
SCHEMBL7644647 0.78 TDP1 (0.46) MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL7640867 0.76 UTS2R (0.37) STAT3UTS2RACHEALOX5TDP1
SCHEMBL7642328 0.76 KMT2A (0.46) MEN1KMT2AL3MBTL1
SCHEMBL7641777 0.74 MEN1 (0.58) ALOX5MEN1KMT2ATDP1L3MBTL1

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