SCHEMBL8409658

SCHEMBL8409658

CCSc1cccc(C)c1S(=O)(=O)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.34
S100A4 P26447 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HPGD P15428 1/20 0.32
NR3C1 P04150 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ELANE P08246 2/20 0.31
SCN4A P35499 4/20 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
SCHEMBL8409788 0.85 HPGD (0.32) MAP2K7S100A4CDC25ACDC25BL3MBTL1
SCHEMBL8412724 0.84 PKM (0.32) MAP2K7S100A4CDC25ACDC25BMAPT
SCHEMBL8410786 0.83 ALDH1A1 (0.33) NPSR1L3MBTL1MAPTMEN1LMNA
SCHEMBL8734607 0.79 HPGD (0.30) HPGD
SCHEMBL8732433 0.79 GAA (0.31) NPSR1L3MBTL1MAPTGAA
SCHEMBL8729951 0.79
SCHEMBL8412436 0.77 S100A4 (0.37) MAP2K7S100A4CDC25ACDC25BNPSR1
SCHEMBL8732803 0.77 HPGD (0.31) HPGD
SCHEMBL8509614 0.76 MAPT (0.38) MAP2K7S100A4CDC25ACDC25BNPSR1
SCHEMBL8412113 0.76 MAPT (0.38) MAP2K7S100A4CDC25ACDC25BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708087-B1 Method for making a substituted benzene compound ROHM & HAAS (US) 1999-07-28 EP disclosed
US-5670691-A REACTION OF 2-SUBSTITUTED BENZENESULFONATE WITH LITHIUM COMPOUND THEN REACTION WITH ELECTROPHILE TO FORM 2,6-DISUBSTITUTED BENZENESULFONATE ROHM AND HAAS COMPANY (US) 1997-09-23 US disclosed
EP-0708087-A1 Method for making a substituted benzene compound ROHM AND HAAS COMPANY (US) 1996-04-24 EP disclosed