SCHEMBL4668984

SCHEMBL4668984

C=CCC.O=S(O)SS(=O)O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.31
MDM4 O15151 1/20 0.31
TRPA1 O75762 1/20 0.31
TP53 P04637 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
SLC25A21 Q9BQT8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
Sulfurous Acid SCHEMBL6375651 0.83 CA1 (0.40) TERTMDM4TRPA1TP53CTSL
Sulfurous Acid SCHEMBL6376068 0.83 CA1 (0.40) TERTMDM4TRPA1TP53CTSL
Sulfurous Acid SCHEMBL954027 0.83
SCHEMBL30307106 0.72
Sulfur Dioxide SCHEMBL10901132 0.70
Methyl Alcohol SCHEMBL998584 0.69
SCHEMBL10862 0.69
SCHEMBL2430668 0.69 TSHR (0.50) TRPA1ALDH1A1TSHR
SCHEMBL4950820 0.69 TSHR (0.50) TRPA1ALDH1A1TSHR
SCHEMBL5606390 0.69

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-1901701-A2 PERSONAL CARE AND MEDICINAL PRODUCTS INCORPORATING BOUND ORGANOSULFUR GROUPS Ott, David M. (US) 2008-03-26 EP disclosed
WO-2006127918-A2 PERSONAL CARE AND MEDICINAL PRODUCTS INCORPORATING BOUND ORGANOSULFUR GROUPS OTT DAVID M (US) 2006-11-30 WO disclosed