SCHEMBL7758955

SCHEMBL7758955

COC(C)OC(C)OOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
VDR P11473 1/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TLR9 Q9NR96 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2D6 P10635 1/20 0.35
MAPT P10636 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
SCHEMBL8861461 0.83 GAA (0.42) GAAVDRCA2CA1CA12
SCHEMBL8796340 0.81 GAA (0.41) GAAVDRCA2CA1CA12
SCHEMBL2849488 0.80 GAA (0.46) GAAVDRCA2CA1CA12
SCHEMBL3521316 0.79 GAA (0.45) GAAVDRCA2CA1CA12
SCHEMBL9767627 0.77 GAA (0.46) GAAVDRCA2CA1CA12
SCHEMBL7186972 0.75 GAA (0.59) GAAVDRCA2CA1CA12
SCHEMBL12846997 0.74 GAA (0.52) GAAVDRCA2CA1CA12
SCHEMBL10402377 0.74 AGER (0.44) GAAVDRCA2CA1CA12
SCHEMBL890642 0.72 GAA (0.50) GAAVDRCA2CA1CA12
SCHEMBL476786 0.72 GAA (0.54) GAAVDRCA2CA1CA12

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-0727477-B1 Ash-free detergents, their preparation, and use in lubricating oil compositions LUBRIZOL ADIBIS HOLDINGS LTD (GB) 2001-03-14 EP disclosed
US-5780403-A Ash-free detergents their preparation and use in lubricating oil compositions BP CHEMICALS (ADDITIVES) LIMITED (GB) 1998-07-14 US disclosed
EP-0727477-A2 Ash-free detergents, their preparation, and use in lubricating oil compositions BP CHEMICALS (ADDITIVES) LIMITED (GB) 1996-08-21 EP disclosed