SCHEMBL12829323

SCHEMBL12829323

Cc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)CCOS(=O)(=O)O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.38
ALDH1A1 P00352 6/20 0.38
CASP6 P55212 3/20 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 2/20 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
SCHEMBL15985990 0.91 PTGES (0.36) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL14495354 0.88 POLB (0.33) SNCAALDH1A1HSD17B10CYP1A2PTGES
SCHEMBL6028241 0.85 NT5E (0.55) ALDH1A1CASP6CYP2C9CYP2C19HSD17B10
SCHEMBL4297147 0.82 SNCA (0.49) SNCAALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL12829322 0.82 CYP1A2 (0.41) SNCACYP1A2TDP1
SCHEMBL9723968 0.81 ENPP2 (0.46) ALDH1A1CASP6NSD2NT5EENPP2
SCHEMBL9179346 0.80 CASP6 (0.40) ALDH1A1CASP6CYP2C9CYP2C19HSD17B10
SCHEMBL14346535 0.79 LMNA (0.35) ALDH1A1CASP6CYP2C9CYP2C19HSD17B10
SCHEMBL12829694 0.78 KMT2A (0.46) SNCAALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL9559143 0.78 NT5E (0.46) ALDH1A1CASP6CYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540765-B2 Mixtures of reactive dyes and their use in a method of di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2017-01-10 US disclosed
US-20150354134-A1 Mixtures of Reactive Dyes and Their Use in a Method of Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC 2015-12-10 US disclosed
WO-2014127994-A1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD OF DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2014-08-28 WO disclosed
US-8546509-B2 Functionalized particles HUNTSMAN TEXTILE EFFECTS (GERMANY) GMBH (US) 2013-10-01 US disclosed
US-20110077375-A1 Functionalized particles HUNTSMAN TEXTILE EFFECTS (GERMANY) GMBH (DE) 2011-03-31 US disclosed
US-20100024138-A1 MIXTURES OF REACTIVE DYES AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-02-04 US disclosed
US-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 US disclosed
EP-2080833-A2 Method of printing cellulosic fibre materials without an additional fixing process step Huntsman Advanced Materials (Switzerland) GmbH (CH) 2009-07-22 EP disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 US disclosed
WO-2007077129-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2007-07-12 WO disclosed
US-20070032641-A1 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC 2007-02-08 US disclosed