SCHEMBL13392003

SCHEMBL13392003

CC(=O)OCCS(=O)(=O)c1cc(S(=O)(=O)O)c(C)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
ALDH1A1 P00352 6/20 0.35
HTT P42858 2/20 0.35
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
LMNA P02545 3/20 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
SCHEMBL13391991 0.84 ALDH1A1 (0.48) CA2ALDH1A1HTTLMNAGAA
SCHEMBL13392065 0.83 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL13391990 0.81 ALDH1A1 (0.48) CA2ALDH1A1HTTLMNAGAA
SCHEMBL13391994 0.78 CA2 (0.43) CA2ALDH1A1HTTKMT2AMEN1
SCHEMBL15833291 0.78 CA2 (0.51) CA2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4067415 0.74 ALDH1A1 (0.56) CA2ALDH1A1HTTLMNAGAA
SCHEMBL9559059 0.74 CA2 (0.48) CA2ALDH1A1HTTLMNAGAA
SCHEMBL13214212 0.73 CA2 (0.47) CA2ALDH1A1HTTLMNAKMT2A
SCHEMBL12237322 0.72 CA2 (0.53) CA2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL5125062 0.70 LCK (0.43) ALDH1A1SMN1; SMN2LMNAGAAKMT2A

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
US-8372161-B2 Method for the reactive coloring of leather BASF SE (DE) 2013-02-12 US disclosed
WO-2010034832-A1 MONOAZO DYES FOR DYEING LEATHER BASF SE (DE) 2010-04-01 WO disclosed
US-20070033746-A1 Method for the reactive coloring of leather BASF AKTIENGESSELLSCHAFT (DE) 2007-02-15 US disclosed