SCHEMBL7034857

SCHEMBL7034857

CC(C)(C)Oc1ccc(S(=O)(=O)CCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MMP13 P45452 3/20 0.42
MMP8 P22894 1/20 0.42
TP53 P04637 1/20 0.42
MMP1 P03956 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOX P28300 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL7033006 0.83 MMP13 (0.42) CA2KMT2AHTTALDH1A1MEN1
SCHEMBL4190555 0.80 HTT (0.67) CA2KMT2AHTTMEN1GAA
SCHEMBL9325260 0.79 CA2 (0.78) CA2KMT2AHTTALDH1A1MEN1
SCHEMBL7387548 0.78 ALDH1A1 (0.70) KMT2AHTTALDH1A1MEN1LMNA
SCHEMBL7033015 0.77 CA2 (0.58) CA2ALDH1A1LMNALOX
SCHEMBL2879769 0.76 LMNA (0.46) CA2KMT2AALDH1A1MEN1LMNA
SCHEMBL482310 0.75 PKM (0.58) HTTALDH1A1LMNAGAANPSR1
SCHEMBL5484013 0.74 LMNA (0.45) CA2KMT2AALDH1A1MEN1LMNA
SCHEMBL505791 0.74 ALDH1A1 (0.69) CA2KMT2AALDH1A1MEN1LMNA
SCHEMBL13551948 0.74 ENPP2 (0.46) ALDH1A1LMNASMN1; SMN2LOX

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