SCHEMBL29587251

SCHEMBL29587251

COc1ccccc1[S+]([O-])c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.39
CA4 P22748 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PGR P06401 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.36
NR1H2 P55055 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
SCHEMBL20955819 1.00 LTA4H (0.48) LTA4HALDH1A1HTTMAPK1L3MBTL1
SCHEMBL6915522 0.86 CA1 (0.46) ALDH1A1HTTMAPK1L3MBTL1TSHR
SCHEMBL15418801 0.83 CA1 (0.40) ALDH1A1HTTL3MBTL1TSHRCA4
SCHEMBL31038383 0.81 CA1 (0.41) ALDH1A1HTTMAPK1L3MBTL1TSHR
SCHEMBL29588332 0.80 LTA4H (0.42) LTA4HHTTTSHRCA1CA2
SCHEMBL20955823 0.80 LTA4H (0.42) LTA4HHTTTSHRCA1CA2
SCHEMBL9159653 0.78 LTA4H (0.57) LTA4HHTTTSHRCA1CA2
SCHEMBL3139825 0.78 CA1 (0.55) ALDH1A1HTTMAPK1L3MBTL1TSHR
SCHEMBL8772031 0.77 LTA4H (0.55) LTA4HHTTTSHRCA1CA2
SCHEMBL28640258 0.75 ERN1 (0.49) LTA4HALDH1A1HTTMAPK1L3MBTL1

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-3480205-B1 SULFONIUM SALT, PHOTOACID GENERATOR, PHOTOCURABLE COMPOSITION, AND CURED PRODUCT THEREOF SAN APRO LTD (JP) 2022-04-13 EP disclosed