SCHEMBL9779151

SCHEMBL9779151

O=S(=O)(c1ccc(Oc2cccc(C(F)(F)C(F)(F)F)c2)cc1)c1ccc(Oc2cccc(C(F)(F)C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.47
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
AR P10275 1/20 0.45
ESR2 Q92731 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP14 P50281 2/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
HSD11B1 P28845 3/20 0.41

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
SCHEMBL9779171 0.89 PGR (0.43) HTTTDP1L3MBTL1NR3C1PGR
SCHEMBL9778977 0.88 NR3C1 (0.57) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL8855050 0.88 NR3C1 (0.57) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL9778945 0.86 NR3C1 (0.56) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL5669904 0.82 MAOB (0.47) L3MBTL1SMN1; SMN2NR3C1PGRAR
SCHEMBL10709703 0.81 HTT (0.60) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL9778880 0.80 PGR (0.59) HTTTDP1L3MBTL1NR3C1PGR
SCHEMBL9779047 0.79 HTT (0.54) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL9779083 0.78 HTT (0.56) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL9778897 0.76 NR3C1 (0.55) L3MBTL1NR3C1PGRARESR2

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