SCHEMBL7057933

SCHEMBL7057933

C=Cc1cccc[n+]1CCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
ACHE P22303 3/20 0.34
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TSHR P16473 2/20 0.31
HRH1 P35367 1/20 0.31
PDE4D Q08499 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL150282 0.91 HDAC8 (0.42) HDAC8ACHEPOLBPABPC1KDM4E
SCHEMBL29461432 0.91 HDAC8 (0.42) HDAC8ACHEPOLBPABPC1KDM4E
Water SCHEMBL29558803 0.89 HDAC8 (0.41) HDAC8ACHEPOLBPABPC1KDM4E
Water SCHEMBL869251 0.89 HDAC8 (0.41) HDAC8ACHEPOLBPABPC1KDM4E
SCHEMBL1560289 0.89 HDAC8 (0.41) HDAC8ACHEPOLBSMN1; SMN2
Water SCHEMBL8976458 0.88 HDAC8 (0.40) HDAC8ACHEPOLBSMN1; SMN2
SCHEMBL7057931 0.84 HDAC8 (0.44) HDAC8ACHEPOLBPABPC1KDM4E
SCHEMBL12223395 0.83 HDAC8 (0.41) HDAC8ACHEPOLBPABPC1KDM4E
SCHEMBL17123054 0.78 HDAC8 (0.46) HDAC8ACHEPOLBPABPC1KDM4E
SCHEMBL29356904 0.78 ALDH1A1 (0.48) HDAC8ACHEPOLBPABPC1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028739-A2 COMPOSITION FOR PREVENTING OR TREATING HYPERLIPIDEMIA OR HYPERGLYCEMIA COMPRISING A POLYMER OR ITS SALT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
WO-2002032974-A2 POLYMER AND ITS USE FOR THE TREATMENT AND/OR PREVENTION OF HYPERPHOSPHOREMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-25 WO disclosed