SCHEMBL29587704

SCHEMBL29587704

COc1ccccc1Sc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
AR P10275 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A9 P48067 1/20 0.46
PTGIR P43119 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
POLB P06746 2/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
HAO1 Q9UJM8 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.41
HTR1A P08908 2/20 0.40
HTR3A P46098 2/20 0.40

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
SCHEMBL20955831 1.00 LTA4H (0.52) LTA4HARALDH1A1MAPK1HTT
SCHEMBL30580501 0.88 LTA4H (0.55) LTA4HARALDH1A1MAPK1HTT
SCHEMBL2887154 0.87 AR (0.55) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL3289071 0.85 AR (0.56) ARALDH1A1MAPK1L3MBTL1SLC6A9
SCHEMBL29363270 0.82 AR (0.54) ARALDH1A1SLC6A9PTGIRKMT2A
SCHEMBL15418635 0.82 AR (0.54) ARALDH1A1SLC6A9PTGIRKMT2A
SCHEMBL9556964 0.81 LTA4H (0.52) LTA4HMAPK1KMT2AMEN1POLB
SCHEMBL31345522 0.80 AR (0.55) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL14654309 0.80 TSHR (0.44) LTA4HALDH1A1MAPK1HTTL3MBTL1
SCHEMBL14712741 0.79 SLC6A9 (0.48) ARALDH1A1MAPK1HTTL3MBTL1

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