SCHEMBL7033006

SCHEMBL7033006

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MMP8 P22894 3/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MMP1 P03956 5/20 0.41
TP53 P04637 1/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADAM17 P78536 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP3 P08254 1/20 0.37
MMP2 P08253 1/20 0.36

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
SCHEMBL7034857 0.83 CA2 (0.53) MMP13KMT2AALDH1A1MMP8MEN1
SCHEMBL4183847 0.80 MMP13 (0.64) MMP13KMT2AALDH1A1MMP8MEN1
SCHEMBL7033893 0.77 ALDH1A1 (0.53) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL4323508 0.76 ALDH1A1 (0.43) MMP13KMT2AALDH1A1MEN1HTT
SCHEMBL482310 0.75 PKM (0.58) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL7387548 0.75 ALDH1A1 (0.70) MMP13KMT2AALDH1A1MEN1HTT
SCHEMBL1149166 0.74 ALDH1A1 (0.69) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL13551948 0.74 ENPP2 (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL21556124 0.72 ALDH1A1 (0.59) ALDH1A1HTTCA2POLB
SCHEMBL2879769 0.72 LMNA (0.46) MMP13KMT2AALDH1A1MMP8MEN1

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 3 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-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