SCHEMBL8768634

SCHEMBL8768634

CC(C)Oc1ccc(O)c(S(=O)(=O)c2ccc(O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
GAA P10253 4/20 0.51
ELANE P08246 2/20 0.50
GFER P55789 1/20 0.50
PKM P14618 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CNR1 P21554 3/20 0.41
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH2 P05091 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL26268 0.82 PKM (0.65) POLBGAAELANEPKMFFAR4
SCHEMBL3229355 0.79 MMP2 (0.45) POLBGAAGFERPKMFFAR4
SCHEMBL7774118 0.77 POLB (0.55) POLBGAAGFERPKMALDH1A1
SCHEMBL8776944 0.76 ESR2 (0.54) POLBGAAELANEGFERPKM
SCHEMBL4734126 0.76 MMP2 (0.46) GAAELANEPKMALDH2MAOA
SCHEMBL7126365 0.76 POLB (0.66) POLBGAAELANEGFERPKM
SCHEMBL8496189 0.75 FFAR4 (0.50) POLBGAAPKMALDH1A1CA2
SCHEMBL537032 0.75 GAA (0.54) GAAELANEPKMALDH1A1L3MBTL1
SCHEMBL338263 0.75 ALDH2 (0.52) GAAELANEPKMALDH1A1ALDH2
SCHEMBL8768169 0.74 GAA (0.61) POLBGAAGFERPKMALDH1A1

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-0792756-A2 Liquid composition laser marking article and marking process NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-09-03 EP disclosed