SCHEMBL9861765

SCHEMBL9861765

CCc1ccc(COS(=O)(O)=S)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.45
CA9 Q16790 4/20 0.45
CA1 P00915 3/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 1/20 0.41
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CA12 O43570 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
UCHL1 P09936 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.90 CA2 (0.54) CA2CA9CA1CA12KMT2A
SCHEMBL9861407 0.85 CA2 (0.46) CA2CA9CA1SMN1; SMN2PLK1
SCHEMBL9861023 0.85 CA2 (0.61) CA2CA9CA1ALDH1A1KMT2A
SCHEMBL9861747 0.81 IDO1 (0.53) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL9860933 0.81 TRPA1 (0.35) CA2CA9SMN1; SMN2CYP2C19PLK1
SCHEMBL10859327 0.81 IDO1 (0.50) CA2CA9CA1EGFRCA12
SCHEMBL9860969 0.80 NR4A2 (0.45) CA2CA9RXRARXRBSMN1; SMN2
SCHEMBL9861379 0.80 CA2 (0.56) CA2CA9CA1ALDH1A1HPGD
SCHEMBL5078811 0.80 CA2 (0.59) CA2CA9CA1CYP2C19ALDH1A1
SCHEMBL10859458 0.79 PKM (0.35) CA2CA9CA1SMN1; SMN2ALDH1A1

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