SCHEMBL7640914

SCHEMBL7640914

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
STAT3 P40763 1/20 0.35
ACHE P22303 1/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL7635000 0.89 STAT3 (0.38) L3MBTL1STAT3ACHEALOX5MEN1
SCHEMBL7641879 0.89 MEN1 (0.46) L3MBTL1STAT3ACHEALOX5MEN1
SCHEMBL7642328 0.87 KMT2A (0.46) L3MBTL1MEN1KMT2A
SCHEMBL7641755 0.82 ALDH1A1 (0.42) ALOX5
SCHEMBL7644647 0.78 TDP1 (0.46) MEN1KMT2ATDP1
SCHEMBL7636466 0.76 L3MBTL1 (0.36) L3MBTL1STAT3ACHEALOX5UTS2R
SCHEMBL7633374 0.76 AOC3 (0.43) L3MBTL1ACHEUTS2R
SCHEMBL7633372 0.76 TSHR (0.40) MEN1KMT2A
SCHEMBL7635756 0.76 ACHE (0.36) L3MBTL1STAT3ACHEALOX5UTS2R
SCHEMBL7637377 0.75 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