SCHEMBL12829322

SCHEMBL12829322

Cc1ccc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
APEX1 P27695 1/20 0.37
F2 P00734 2/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
SNCA P37840 1/20 0.34
RAPGEF3 O95398 1/20 0.33
CNR2 P34972 2/20 0.33
HCRTR1 O43613 1/20 0.33
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
GAA P10253 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
SCHEMBL14495354 0.85 POLB (0.33) CYP1A2CYP2A6SNCAPOLBGAA
SCHEMBL7628352 0.84 CTDSP1 (0.43) CYP1A2APEX1F2PRSS1PRSS2
SCHEMBL7963753 0.83 CA1 (0.47) CYP1A2APEX1F2PRSS1PRSS2
SCHEMBL8817438 0.82 F2 (0.37) APEX1F2PRSS1PRSS2PRSS3
SCHEMBL12829323 0.82 SNCA (0.38) CYP1A2SNCATDP1
SCHEMBL16705723 0.81 CYP2A6 (0.47) CYP1A2CYP2A6APEX1CNR2TDP1
SCHEMBL8817433 0.81 F2 (0.36) APEX1F2PRSS1PRSS2PRSS3
SCHEMBL15704210 0.81 CYP2A6 (0.53) CYP1A2CYP2A6CNR2HCRTR1POLB
SCHEMBL15985990 0.80 PTGES (0.36) CYP1A2SNCAGAA
SCHEMBL12406605 0.78 CYP1A2 (0.53) CYP1A2CYP2A6SNCAHCRTR1TDP1

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 12 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
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 WO disclosed
US-20070032641-A1 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC 2007-02-08 US disclosed