SCHEMBL2899953

SCHEMBL2899953

O=S(=O)(O)c1ccc2cc3c(S(=O)(=O)O)cccc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CASP6 P55212 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 2/20 0.50
SNCA P37840 2/20 0.47
CYP1A2 P05177 3/20 0.45
HIF1A Q16665 2/20 0.45
TSHR P16473 2/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
NT5E P21589 1/20 0.44
TTR P02766 1/20 0.42
DUSP5 Q16690 1/20 0.42
NSD2 O96028 2/20 0.41
PTPN11 Q06124 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP7 P55210 1/20 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
SCHEMBL2899556 1.00 HSD17B10 (0.50) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL593036 0.98 HSD17B10 (0.49) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL479266 0.88 ALDH1A1 (0.54) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29370096 0.88 ALDH1A1 (0.54) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29625232 0.88 ALDH1A1 (0.54) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL11680739 0.88 TTR (0.48) HSD17B10ALDH1A1CYP2C9CYP2C19SNCA
SCHEMBL1394934 0.88 TTR (0.48) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL19025117 0.88 TTR (0.48) HSD17B10ALDH1A1CYP2C9CYP2C19SNCA
SCHEMBL30390374 0.88 TTR (0.48) HSD17B10ALDH1A1CYP2C9CYP2C19SNCA
SCHEMBL1030801 0.87 SNCA (0.51) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7811517-B2 Method of tracing corrosive materials NALCO COMPANY (US) 2010-10-12 US disclosed
WO-2009111376-A1 METHOD OF TRACING CORROSIVE MATERIALS NALCO COMPANY (US) 2009-09-11 WO disclosed
US-20080160626-A1 METHOD OF TRACING CORROSIVE MATERIALS ECOLAB USA INC. 2008-07-03 US disclosed
US-7220382-B2 Use of disulfonated anthracenes as inert fluorescent tracers NALCO COMPANY (US) 2007-05-22 US disclosed
EP-1649078-A2 USE OF DISULFONATED ANTHRACENES AS INERT FLUORESCENT TRACERS Nalco Company (US) 2006-04-26 EP disclosed
WO-2005016479-A2 USE OF DISULFONATED ANTHRACENES AS INERT FLUORESCENT TRACERS NALCO COMPANY (US) 2005-02-24 WO disclosed
US-20050025659-A1 Use of disulfonated anthracenes as inert fluorescent tracers ECOLAB USA INC. 2005-02-03 US disclosed
US-20050025660-A1 Method of tracing corrosive materials ONDEO NALCO COMPANY 2005-02-03 US disclosed