SCHEMBL7753271

SCHEMBL7753271

CC(CCCN=C=S)=S=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.45
MIF P14174 4/20 0.42
NAAA Q02083 1/20 0.42
KEAP1 Q14145 5/20 0.41
NFE2L2 Q16236 5/20 0.41
BACH1 O14867 2/20 0.41
MAFK O60675 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
EGFR P00533 1/20 0.41
PTGS2 P35354 1/20 0.41
GSK3B P49841 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
SCHEMBL27575394 0.92 TRPA1 (0.48) TRPA1MIFNAAAKEAP1NFE2L2
SCHEMBL27593694 0.92 TRPA1 (0.48) TRPA1MIFNAAAKEAP1NFE2L2
SCHEMBL18581783 0.92 TRPA1 (0.48) TRPA1MIFNAAAKEAP1NFE2L2
SCHEMBL27593695 0.92 TRPA1 (0.48) TRPA1MIFNAAAKEAP1NFE2L2
SCHEMBL27521725 0.92 TRPA1 (0.48) TRPA1MIFNAAAKEAP1NFE2L2
SCHEMBL691779 0.88
SCHEMBL25332582 0.77
SCHEMBL27976500 0.74
SCHEMBL27603964 0.74
SCHEMBL362346 0.71 KEAP1 (0.50) TRPA1MIFNAAAKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1649574-A Compositions comprising lycopene for the treatment and prevention of angiogenesis-related pathologies DSM IP ASSETS BV (NL) 2005-08-03 CN claimed
US-10925304-B2 Method for treating chronic fatigue syndrome, idiopathic chronic fatigue, and fibromyalgia PRODUCTIVE AGING LABORATORY, CO., LTD. (JP) 2021-02-23 US disclosed
US-20190343161-A1 THERAPEUTIC AGENT FOR CHRONIC FATIGUE SYNDROME PRODUCTIVE AGING LABORATORY, CO., LTD. (JP) 2019-11-14 US disclosed
CN-104388487-B A kind of method that utilization rocket salad glycosides prepares sulforaphane 北京化工大学 2017-07-11 CN disclosed
CN-104388487-A Method for preparing sulforaphane by using roquette seed glycosides UNIV BEIJING CHEMICAL 2015-03-04 CN disclosed
CN-101631865-A Flavin monooxygenase and transcription factor involved in glucosinolate biosynthesis UNIV COPENHAGEN 2010-01-20 CN disclosed
CN-100522154-C Application of isothiocyanate compounds in preparation of drugs for treating helicobacter infection JED W FAHEY (US) 2009-08-05 CN disclosed
CN-1272443-C Method for preparing isothiocyanic ester from cruciferae plants NEW FUNCTIONAL FOOD DEV TECHNO (JP) 2006-08-30 CN disclosed
CN-1649574-A Compositions comprising lycopene for the treatment and prevention of angiogenesis-related pathologies DSM IP ASSETS BV (NL) 2005-08-03 CN disclosed
CN-1469711-A Treatment of helicobacter with isothiocyanates W 2004-01-21 CN disclosed
CN-1405316-A Method for preparing isothiocyanic ester from cruciferae plants NEW FUNCTIONAL FOOD DEV TECHNO (JP) 2003-03-26 CN disclosed
EP-1069819-A1 METHOD FOR SELECTIVE INCREASE OF THE ANTICARCINOGENIC GLUCOSINOLATES IN $i(BRASSICA SP.) Plant Bioscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052345-A1 METHOD FOR SELECTIVE INCREASE OF THE ANTICARCINOGENIC GLUCOSINOLATES IN $i(BRASSICA SP.) PLANT BIOSCIENCE LIMITED (GB) 1999-10-21 WO disclosed