SCHEMBL9860969

SCHEMBL9860969

CC(C)(C)c1ccc(COS(=O)(O)=S)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MITF O75030 1/20 0.44
KMT2A Q03164 2/20 0.44
APP P05067 1/20 0.42
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
NPC1 O15118 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41

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
SCHEMBL9861045 0.85 SHBG (0.51) NR4A2RXRARXRBKMT2AAPP
SCHEMBL10501977 0.85 CA2 (0.54) KMT2AMEN1CA2CA9
SCHEMBL9861010 0.83 GABRA1 (0.41) RXRARXRBTRPV1
SCHEMBL29105129 0.83 KMT2A (0.65) KMT2ACA2CA9
SCHEMBL9861765 0.80 CA2 (0.45) RXRARXRBKMT2ARAB9ANPC1
SCHEMBL9861023 0.80 CA2 (0.61) KMT2ARAB9ANPC1CA2CA9
Ammonia Solution, Strong SCHEMBL28577311 0.78 CA2 (0.59) NR4A2RXRARXRBMITFKMT2A
SCHEMBL9861407 0.77 CA2 (0.46) L3MBTL1SMN1; SMN2CA2CA9
SCHEMBL9861747 0.77 IDO1 (0.53) APPRAB9ANPC1SMN1; SMN2
SCHEMBL10859327 0.77 IDO1 (0.50) NR4A2KMT2AAPPCA2CA9

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