SCHEMBL9659643

SCHEMBL9659643

CCc1cc(S(=O)(=O)c2ccc(Oc3ccc(C)cc3)cc2CC)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
MMP16 P51512 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
FFAR1 O14842 1/20 0.39
COMT P21964 1/20 0.38
GFER P55789 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL9660984 0.84 CA1 (0.51) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9659641 0.80 MMP2 (0.53) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9661649 0.77 MMP2 (0.52) HTTL3MBTL1TDP1SMN1; SMN2MMP2
SCHEMBL921473 0.76 ESR1 (0.52) HTTPKMMEN1KMT2A
SCHEMBL4901587 0.74 POLB (0.62) ALDH1A1POLBGAAPKM
SCHEMBL5157299 0.74 POLB (0.62) ALDH1A1POLBGAAPKM
SCHEMBL29599097 0.74 POLB (0.62) ALDH1A1POLBGAAPKM
SCHEMBL8491364 0.73 PKM (0.60) MMP2MMP8MMP12MMP13MMP14
SCHEMBL9661788 0.72 HTT (0.50) HTTL3MBTL1TDP1SMN1; SMN2MMP2
SCHEMBL5204151 0.72 ALOX5 (0.43) TDP1ALDH1A1POLBFFAR1

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-0466096-A1 Derivatives of 4-hydroxyphenylsulfone JUJO PAPER CO., LTD. (JP) 1992-01-15 EP disclosed