SCHEMBL9306403

SCHEMBL9306403

Cc1ccc(S(=O)(=O)OC(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PPARG P37231 3/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
STAT3 P40763 1/20 0.41
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
PPARA Q07869 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.37

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
SCHEMBL7265141 0.86 SMN1; SMN2 (0.43) PPARGKEAP1NFE2L2STAT3SLC1A3
SCHEMBL1990107 0.86 SMN1; SMN2 (0.43) PPARGKEAP1NFE2L2STAT3SLC1A3
SCHEMBL3064836 0.86 SMN1; SMN2 (0.43) PPARGKEAP1NFE2L2STAT3SLC1A3
SCHEMBL2014629 0.85 STAT3 (0.38) KDM4EPPARGKEAP1NFE2L2STAT3
SCHEMBL2014631 0.85 STAT3 (0.38) KDM4EPPARGKEAP1NFE2L2STAT3
SCHEMBL13369726 0.85 KMT2A (0.41) PPARGKEAP1NFE2L2STAT3SLC1A3
SCHEMBL2325751 0.83 CA12 (0.44) PPARGSTAT3SLC1A3SLC1A2SLC1A1
SCHEMBL10808505 0.83 CA2 (0.40) PPARGSTAT3SLC1A3SLC1A2SLC1A1
SCHEMBL10572149 0.83 CA12 (0.44) PPARGSTAT3SLC1A3SLC1A2SLC1A1
SCHEMBL10465481 0.83 KDM4E (0.48) KDM4EPPARGKEAP1NFE2L2STAT3

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed