SCHEMBL8205673

SCHEMBL8205673

C=CC(OS(=O)(=O)c1ccc(C)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.40
GAA P10253 2/20 0.39
VDR P11473 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CYP24A1 Q07973 1/20 0.37
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL23255717 0.87 TLR9 (0.38) TLR9GAAVDRCA1CA2
SCHEMBL24805444 0.79 TLR9 (0.43) TLR9GAAVDRCA1CA2
SCHEMBL1629581 0.78 TLR9 (0.48) TLR9GAAVDRCA1CA2
SCHEMBL5011366 0.78 GAA (0.45) TLR9GAAVDRCA1CA2
SCHEMBL5412423 0.78 CA12 (0.42) TLR9GAAVDRCA1CA2
SCHEMBL2342945 0.78 GAA (0.52) TLR9GAAVDRCA1CA2
SCHEMBL5557903 0.78 GAA (0.52) TLR9GAAVDRCA1CA2
SCHEMBL14779302 0.77 TLR9 (0.47) TLR9GAAVDRCA1CA2
SCHEMBL4969119 0.77 GAA (0.46) TLR9GAAVDRCA1CA2
SCHEMBL14779220 0.77 GAA (0.46) TLR9GAAVDRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed