SCHEMBL7034776

SCHEMBL7034776

Cc1ccc(S(=O)(=O)CCO)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.46
CA2 P00918 4/20 0.46
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39

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
SCHEMBL10407448 0.83 RAPGEF4 (0.46) MEP1BALDH1A1PKMRAPGEF4HPGD
SCHEMBL8285549 0.82 CA2 (0.64) CA2ALDH1A1HSD17B10SMN1; SMN2TP53
SCHEMBL8556738 0.82 CA2 (0.62) MEP1BCA2ALDH1A1PKMKMT2A
SCHEMBL7036105 0.81 MEP1B (0.43) MEP1BALDH1A1PKMRAPGEF4HPGD
SCHEMBL4394138 0.81 MEP1B (0.43) MEP1BALDH1A1PKMRAPGEF4HPGD
SCHEMBL10407436 0.80 RAPGEF4 (0.50) MEP1BALDH1A1PKMRAPGEF4HPGD
SCHEMBL3253706 0.80 MEP1B (0.47) MEP1BALDH1A1PKMRAPGEF4HPGD
SCHEMBL10407445 0.80 RAPGEF4 (0.44) MEP1BALDH1A1PKMRAPGEF4HPGD
SCHEMBL4390836 0.79 ALDH1A1 (0.43) MEP1BALDH1A1PKMRAPGEF4HPGD
SCHEMBL8936961 0.77 CA2 (0.40) MEP1BCA2ALDH1A1KMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841323-B1 Method for producing arylvinylsulfone SUMITOMO CHEMICAL CO (JP) 2003-03-05 EP disclosed
US-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 US disclosed
US-5902905-A Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-05-11 US disclosed
EP-0841323-A2 Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-13 EP disclosed