SCHEMBL11526480

SCHEMBL11526480

Cc1ccc(S(=O)(=O)OC(=O)c2cccc(C(=O)OS(=O)(=O)c3ccc(C)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.54
CTNNB1 P35222 1/20 0.54
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 2/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL2213274 0.88 RECQL (0.53) TCF4CTNNB1ALDH1A1GAAPOLB
Water SCHEMBL7747510 0.87 RECQL (0.51) TCF4CTNNB1ALDH1A1GAAPOLB
SCHEMBL9559105 0.86 TDP1 (0.53) ALDH1A1CYP2C9GAAKMT2AMEN1
SCHEMBL28794420 0.83 TDP1 (0.44) ALDH1A1GAAKMT2AMAPTNPC1
SCHEMBL27789221 0.81 TSHR (0.55) TCF4CTNNB1ALDH1A1GAAPOLB
SCHEMBL25241610 0.80 KMT2A (0.61) ALDH1A1CYP2C9GAAKMT2AMEN1
SCHEMBL11771371 0.80 NNMT (0.51) TCF4CTNNB1ALDH1A1GAAPOLB
SCHEMBL27639097 0.80 ALDH1A1 (0.51) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL28685368 0.80 TSHR (0.53) TCF4CTNNB1ALDH1A1GAAPOLB
SCHEMBL29151542 0.79 KMT2A (0.59) ALDH1A1CYP2C9GAAKMT2AMEN1

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-4170566-A BLEACHES FMC CORPORATION (US) 1979-10-09 US disclosed
US-4110074-A Mixed carboxylic/sulfonic anhydrides in peroxygen bleaching FMC CORPORATION (US) 1978-08-29 US disclosed