SCHEMBL6258935

SCHEMBL6258935

O=C(O)CC(CC(=O)O)SS

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
FOLH1 Q04609 2/20 0.33
MAPT P10636 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC2 Q92769 1/20 0.31
CACNB3 P54284 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNA1C Q13936 1/20 0.30
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30

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
SCHEMBL24591640 0.79 KISS1R (0.33) SLC22A6TDP1SMN1; SMN2
SCHEMBL11566571 0.75 SLC22A6 (0.47) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL3076087 0.72
SCHEMBL15910326 0.69
SCHEMBL9578146 0.67 SLC22A6 (0.39) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL11568977 0.67 FOLH1 (0.52) SLC22A6LMNATSHRFOLH1CYP2D6
SCHEMBL2690498 0.65
SCHEMBL30689537 0.65
SCHEMBL22826570 0.65 SLC22A6 (0.50) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL2811956 0.65 SLC22A6 (0.50) SLC22A6TDP1SMN1; SMN2GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090557-B1 Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative QUEST INT (NL) 2005-09-28 EP disclosed
EP-1090557-A1 Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative QUEST INTERNATIONAL B.V. (NL) 2001-04-11 EP disclosed