SCHEMBL9659641

SCHEMBL9659641

CCCc1cc(S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2CCC)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.53
MMP12 P39900 8/20 0.53
MMP9 P14780 8/20 0.53
MMP8 P22894 7/20 0.53
MMP13 P45452 7/20 0.53
MMP14 P50281 7/20 0.53
MMP16 P51512 7/20 0.53
MMP3 P08254 5/20 0.47
MMP1 P03956 4/20 0.47
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ADAM17 P78536 1/20 0.42
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL5206395 0.83 HMGCR (0.50) GAAMTNR1AMTNR1B
SCHEMBL9661612 0.83 CA2 (0.46) MMP2MMP12MMP9MMP8MMP13
SCHEMBL9660984 0.81 CA1 (0.51) MMP2MMP12MMP9MMP8MMP13
SCHEMBL5209631 0.80 PPARG (0.43) MMP14CA1CA2MEN1KMT2A
SCHEMBL9659643 0.80 HTT (0.46) MMP2MMP12MMP9MMP8MMP13
SCHEMBL9659646 0.79 MMP2 (0.52) MMP2MMP12MMP9MMP8MMP13
SCHEMBL8491475 0.78 PKM (0.53) MMP2MMP12MMP9MMP8MMP13
SCHEMBL29599655 0.76 POLB (0.57) CA2GAACNR1
SCHEMBL4899940 0.76 POLB (0.57) CA2GAACNR1
SCHEMBL16648400 0.76 ALOX5 (0.49) MTNR1AMTNR1BCNR1

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