SCHEMBL7633372

SCHEMBL7633372

CC(=O)C(CCC(OC(C)C)c1ccccc1)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
POLB P06746 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HTT P42858 1/20 0.37
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL7640630 0.90 TSHR (0.39) TSHRPOLBCTDSP1HTTPABPC1
SCHEMBL7642328 0.89 KMT2A (0.46) TSHRPOLBCTDSP1KMT2AMTNR1A
SCHEMBL7644647 0.87 TDP1 (0.46) TSHRPOLBCTDSP1KMT2AMEN1
SCHEMBL7635000 0.87 STAT3 (0.38) KMT2AMEN1SMN1; SMN2
SCHEMBL7638548 0.87 MTNR1A (0.45) TSHRPOLBCTDSP1HTTKMT2A
SCHEMBL7641416 0.85 TSHR (0.41) TSHRPOLBCTDSP1HTTKMT2A
SCHEMBL7644574 0.85 ALDH1A1 (0.46) TSHRKMT2AALDH1A1
SCHEMBL7641755 0.78 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL7060890 0.78 TSHR (0.50) TSHRHTTKMT2AALDH1A1MEN1
SCHEMBL7636045 0.77 AOC3 (0.40) KMT2AMEN1

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