SCHEMBL6344313

SCHEMBL6344313

C=CCSS(=O)(=S)CC=C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7112465 0.75 TRPA1 (0.36) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL5139937 0.68
SCHEMBL2460763 0.67
SCHEMBL1927751 0.67
SCHEMBL4565340 0.67
Diallylsulfone SCHEMBL9246095 0.65 ALOX5 (0.58) TRPA1ALDH1A1CYP3A4HPGDALOX15
Diallyldisulfide SCHEMBL27729765 0.64 TRPA1 (0.79) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL4786083 0.64
Diallyl Sulfide SCHEMBL28136279 0.63 ALOX5 (0.55) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL8614646 0.62

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
US-20050142075-A1 Breath equalizing mint RAST RODGER H (US) 2005-06-30 US claimed
US-20030129291-A1 Systems and methods of enhancing consumable products RAST RODGER H (US) 2003-07-10 US claimed
CN-106380251-A Preparation method of matrix soil dedicated for seedling culture of fruit radish 宿州市埇桥区九里梦种植专业合作社 2017-02-08 CN disclosed
US-20050142075-A1 Breath equalizing mint RAST RODGER H (US) 2005-06-30 US disclosed
US-20030129291-A1 Systems and methods of enhancing consumable products RAST RODGER H (US) 2003-07-10 US disclosed