SCHEMBL9709525

SCHEMBL9709525

C=CCC(CCCCOCc1ccccc1)COS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TEAD3 Q99594 2/20 0.37
MMP3 P08254 4/20 0.36
MMP8 P22894 4/20 0.36
MMP9 P14780 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 3/20 0.35
POLB P06746 1/20 0.34
EPHX2 P34913 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL9709529 1.00 TDP1 (0.41) TDP1TEAD3MMP3MMP8MMP9
SCHEMBL9709745 0.81 TDP1 (0.41) TDP1TEAD3L3MBTL1MEN1MAPT
SCHEMBL9709669 0.79 TEAD3 (0.41) TDP1TEAD3MMP3MMP8MMP9
SCHEMBL9709674 0.79 TEAD3 (0.41) TDP1TEAD3MMP3MMP8MMP9
SCHEMBL9709762 0.77 TEAD3 (0.44) TEAD3MMP3MMP8MMP9L3MBTL1
SCHEMBL9709579 0.77 FOLH1 (0.45) TEAD3MMP3MMP8MMP9L3MBTL1
SCHEMBL9709766 0.77 TEAD3 (0.44) TEAD3MMP3MMP8MMP9L3MBTL1
SCHEMBL9709585 0.77 FOLH1 (0.45) TEAD3MMP3MMP8MMP9L3MBTL1
SCHEMBL2078239 0.77 ALDH1A1 (0.52) TDP1TEAD3MMP9L3MBTL1EPHX2
SCHEMBL9709518 0.76 MMP3 (0.42) TDP1TEAD3MMP3MMP8MMP9

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
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed