SCHEMBL7635756

SCHEMBL7635756

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
ALOX5 P09917 1/20 0.36
UTS2R Q9UKP6 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
STAT3 P40763 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A9 P48067 1/20 0.33
HPGD P15428 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CASR P41180 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
SCHEMBL7640867 0.89 UTS2R (0.37) ACHEALOX5UTS2RTDP1ALDH1A1
SCHEMBL7641602 0.87 SMN1; SMN2 (0.38) ACHEALOX5UTS2RTDP1
SCHEMBL7638904 0.87 HDAC3 (0.41) MAPTL3MBTL1CA12CA9SLC6A9
SCHEMBL7636473 0.84 CTBP2 (0.35) ACHEALOX5UTS2RTDP1ALDH1A1
SCHEMBL7634845 0.81 LMNA (0.44) ALOX5UTS2RALDH1A1MAPTCA2
SCHEMBL7635923 0.76 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPTCASR
SCHEMBL7640914 0.76 L3MBTL1 (0.39) ACHEALOX5UTS2RTDP1L3MBTL1
SCHEMBL7637369 0.76 CTBP2 (0.35) ACHEALOX5UTS2RTDP1ALDH1A1
SCHEMBL7637375 0.76 CTBP2 (0.35) ACHEALOX5UTS2RTDP1ALDH1A1
SCHEMBL7644746 0.75 TSHR (0.41) ALOX5MAPTCASR

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