SCHEMBL9779171

SCHEMBL9779171

O=S(=O)(c1cccc(Oc2cccc(C(F)(F)C(F)(F)F)c2)c1)c1cccc(Oc2cccc(C(F)(F)C(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
NR3C1 P04150 1/20 0.43
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
KIF11 P52732 1/20 0.39
HSD11B1 P28845 1/20 0.39
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 4/20 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
SCHEMBL9779151 0.89 HTT (0.54) PGRNR3C1ARESR2HTT
SCHEMBL9778897 0.87 NR3C1 (0.55) PGRNR3C1ARESR2L3MBTL1
SCHEMBL9778780 0.86 NR3C1 (0.53) PGRNR3C1ARESR2L3MBTL1
SCHEMBL9778880 0.84 PGR (0.59) PGRNR3C1ARESR2HTT
SCHEMBL5669904 0.80 MAOB (0.47) PGRNR3C1ARESR2L3MBTL1
SCHEMBL9779035 0.78 PTGES2 (0.42) PGRNR3C1ARESR2HTT
SCHEMBL9778961 0.78 PTGES2 (0.52) HTTTDP1L3MBTL1ABCC9ABCC8
SCHEMBL9779282 0.77 HTT (0.47) PGRNR3C1ARESR2HTT
SCHEMBL9779001 0.76 PTGES2 (0.54) PGRNR3C1ARESR2HTT
SCHEMBL8855050 0.76 NR3C1 (0.57) PGRNR3C1ARESR2HTT

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
US-5066409-A Novel aryl ether sulfones THE DOW CHEMICAL COMPANY (US) 1991-11-19 US disclosed