SCHEMBL8207005

SCHEMBL8207005

Cc1ccc(S(=O)(=O)OCCc2ccc(C)c(C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
STAT3 P40763 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
GAA P10253 1/20 0.36
PSMD10 O75832 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL6906905 0.87 CA1 (0.50) CA1CA9CA12CA2ALDH1A1
SCHEMBL18289524 0.87 CA1 (0.50) CA1CA9CA12CA2ALDH1A1
SCHEMBL18289526 0.84 CYP19A1 (0.50) CA1CA9CA12CA2KMT2A
SCHEMBL31757240 0.83 CA1 (0.48) CA1CA9CA12CA2ALDH1A1
SCHEMBL6823960 0.82 CA1 (0.45) CA1CA9CA12CA2ALDH1A1
SCHEMBL31377870 0.82 CA1 (0.45) CA1CA9CA12CA2ALDH1A1
SCHEMBL5966607 0.81 CA12 (0.47) CA1CA9CA12CA2ALDH1A1
SCHEMBL6994087 0.81 LMNA (0.53) CA1CA9CA12CA2ALDH1A1
SCHEMBL948326 0.80 CNR2 (0.56) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL7882874 0.80 CA1 (0.44) CA1CA9CA12CA2ALDH1A1

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