SCHEMBL28640258

SCHEMBL28640258

COc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1[S+]([O-])c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
LTA4H P09960 2/20 0.46
MCL1 Q07820 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSTP1 P09211 1/20 0.40
PRKCQ Q04759 1/20 0.39
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
TTR P02766 3/20 0.37
FYN P06241 1/20 0.36
TSHR P16473 1/20 0.36
FGFR2 P21802 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
SCHEMBL28644240 0.81 GSTP1 (0.42) ERN1LTA4HMCL1HTTGSTP1
SCHEMBL20955819 0.75 LTA4H (0.48) ERN1LTA4HALDH1A1MAPK1HTT
SCHEMBL28651682 0.75 ERN1 (0.51) ERN1LTA4HMCL1ALDH1A1MAPK1
SCHEMBL29587251 0.75 LTA4H (0.48) ERN1LTA4HALDH1A1MAPK1HTT
SCHEMBL5537455 0.75 CA12 (0.56) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL15722134 0.72 LTA4H (0.86) LTA4HMCL1ALDH1A1HTTL3MBTL1
SCHEMBL12770846 0.71 ALDH1A1 (0.55) ERN1LTA4HMCL1ALDH1A1MAPK1
SCHEMBL6406035 0.70 LTA4H (0.75) LTA4HGSTP1TSHR
SCHEMBL2860844 0.70 LTA4H (0.75) LTA4HGSTP1TSHR
SCHEMBL197414 0.70 LTA4H (0.75) LTA4HGSTP1TSHR

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
CN-108884110-B Sulfonium salt, photoacid generator, photocurable composition, and cured product thereof 三亚普罗股份有限公司 2021-09-14 CN disclosed