SCHEMBL9779083

SCHEMBL9779083

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGES2 Q9H7Z7 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NR3C1 P04150 1/20 0.47
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP14 P50281 1/20 0.46
MAPK14 Q16539 1/20 0.44
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
NAMPT P43490 1/20 0.42
CHRM5 P08912 1/20 0.42
SOS1 Q07889 1/20 0.42
KAT6A Q92794 1/20 0.42
CES1 P23141 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL9778961 0.89 PTGES2 (0.52) HTTTDP1L3MBTL1PTGES2NAMPT
SCHEMBL8941548 0.88 PTGS2 (0.50) HTTTDP1L3MBTL1PTGES2NR3C1
SCHEMBL9779047 0.88 HTT (0.54) HTTTDP1L3MBTL1PTGES2SMN1; SMN2
SCHEMBL9779001 0.87 PTGES2 (0.54) HTTTDP1L3MBTL1PTGES2SMN1; SMN2
SCHEMBL9779140 0.86 MMP9 (0.56) HTTSMN1; SMN2NR3C1MMP2MMP9
SCHEMBL9778945 0.83 NR3C1 (0.56) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL5670014 0.81 CETP (0.54) PTGES2SMN1; SMN2MAPK14CHRM5MEN1
SCHEMBL8855050 0.81 NR3C1 (0.57) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL9778977 0.81 NR3C1 (0.57) HTTTDP1L3MBTL1SMN1; SMN2NR3C1
SCHEMBL22954096 0.80 KAT6A (0.53) PTGES2NAMPTKAT6A

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