SCHEMBL13744667

SCHEMBL13744667

Cc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)C(C)OS(=O)(=O)O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CASP6 P55212 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 2/20 0.37
NSD2 O96028 3/20 0.36
HIF1A Q16665 1/20 0.36
NT5E P21589 2/20 0.36
PTGES O14684 1/20 0.36
ENPP2 Q13822 4/20 0.34
SUMO2 P61956 1/20 0.32
SUMO1 P63165 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP2 Q9HC62 1/20 0.32
DUSP3 P51452 2/20 0.32
PTPN5 P54829 2/20 0.32
PTPN11 Q06124 2/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL4297147 0.82 SNCA (0.49) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL13744377 0.82 CYP1A2 (0.41) SNCAALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL13744645 0.78 SNCA (0.43) SNCAALDH1A1HSD17B10CYP1A2HTT
SCHEMBL12521292 0.76 SNCA (0.44) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL12829323 0.74 SNCA (0.38) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL12807708 0.73 SNCA (0.49) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL13196224 0.72 LMNA (0.38) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL13744492 0.72 ALDH1A1 (0.35) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL8469484 0.71 ALDH1A1 (0.52) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL4297142 0.71 NT5E (0.66) SNCAALDH1A1CASP6CYP2C9CYP2C19

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-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 US disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 US disclosed