SCHEMBL9861407

SCHEMBL9861407

CCCc1ccc(COS(=O)(O)=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
PLK1 P53350 1/20 0.43
CA9 Q16790 2/20 0.42
GPR84 Q9NQS5 2/20 0.41
CA1 P00915 1/20 0.41
THRB P10828 2/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NAAA Q02083 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10501977 0.87 CA2 (0.54) CA2CA9CA1
SCHEMBL9861765 0.85 CA2 (0.45) CA2PLK1CA9CA1LPL
SCHEMBL9861023 0.81 CA2 (0.61) CA2CA9CA1ALDH1A1GAA
SCHEMBL1390541 0.79 CA2 (0.50) CA2PLK1CA9GPR84CA1
SCHEMBL9861747 0.79 IDO1 (0.53) POLBALDH1A1GAASMN1; SMN2
SCHEMBL10859327 0.78 IDO1 (0.50) CA2CA9CA1
SCHEMBL9860969 0.77 NR4A2 (0.45) CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL9861379 0.77 CA2 (0.56) CA2CA9CA1ALDH1A1GAA
SCHEMBL5078811 0.77 CA2 (0.59) CA2CA9CA1ALDH1A1KDM4E
SCHEMBL6618290 0.76 CA2 (0.59) CA2PLK1THRBLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed