SCHEMBL7034773

SCHEMBL7034773

C=CS(=O)(=O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 3/20 0.63
NPC1 O15118 2/20 0.63
TP53 P04637 2/20 0.63
TSHR P16473 2/20 0.63
MAPK1 P28482 2/20 0.63
RAB9A P51151 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HTT P42858 2/20 0.63
XBP1 P17861 1/20 0.63
MDM2 Q00987 1/20 0.63
ELANE P08246 2/20 0.36
TLR9 Q9NR96 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL2879769 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL4188150 0.79 NPC1 (0.70) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL482310 0.78 PKM (0.58) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL5484013 0.77 LMNA (0.45) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL10860893 0.77 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL13551948 0.76 ENPP2 (0.46) ALDH1A1SMN1; SMN2LMNAELANEPKM
SCHEMBL4323508 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTLMNAHSD17B10
SCHEMBL21556124 0.75 ALDH1A1 (0.59) ALDH1A1TSHRHTTCA12CA1
SCHEMBL5484008 0.75 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL7030067 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNANPC1

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 5 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-6399833-B1 CRYSTALLIZATION; DISSOLVING IN SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-04 US disclosed
EP-1055666-A1 PROCESS FOR PRODUCING ARYL VINYL SULFONE SOLUTION AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-11-29 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