SCHEMBL358505

SCHEMBL358505

Cc1cccc(C)c1S(=O)(=O)[O-].Cc1cccc(C)c1S(=O)(=O)[O-].[Ca+2]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA7 P43166 2/20 0.36
CA12 O43570 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL360360 0.95 TDP1 (0.41) TDP1LMNAALDH1A1TSHRCYP1A2
SCHEMBL359728 0.95 TDP1 (0.46) TDP1LMNAALDH1A1TSHRCYP1A2
Potassium Ion SCHEMBL2813353 0.95 TDP1 (0.41) TDP1LMNAALDH1A1TSHRCYP1A2
SCHEMBL9473180 0.81 TRPA1 (0.45) TDP1LMNAALDH1A1KMT2ACA1
SCHEMBL8412759 0.81 ACHE (0.43) TDP1LMNAALDH1A1TSHRACHE
SCHEMBL11622001 0.80 ALDH1A1 (0.39) TDP1LMNAALDH1A1TSHRCYP1A2
SCHEMBL18343591 0.79 ALDH1A1 (0.52) TDP1LMNAALDH1A1TSHRKMT2A
SCHEMBL8411647 0.78 ALDH1A1 (0.40) TDP1LMNAALDH1A1TSHRKEAP1
SCHEMBL8409324 0.76 KMT2A (0.41) TDP1LMNAALDH1A1TSHRCYP1A2
SCHEMBL9568264 0.76 TSHR (0.56) TDP1LMNAALDH1A1TSHRSMN1; SMN2

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
EP-2548674-B1 BINDER COMPOSITION FOR USE IN MOLD MANUFACTURING KAO CORP (JP) 2019-05-01 EP disclosed
EP-2031008-B1 REACTION ACCELERATOR FOR CONDUCTIVE POLYMER SYNTHESIS, CONDUCTIVE POLYMER AND SOLID ELECTROLYTIC CAPACITOR TAYCA CORP (JP) 2016-10-05 EP disclosed
EP-2548674-A1 BINDER COMPOSITION FOR USE IN MOLD MANUFACTURING Kao Corporation (JP) 2013-01-23 EP disclosed
US-20130008625-A1 BINDER COMPOSITION FOR USE IN MOLD MANUFACTURING KAO CORPORATION (JP) 2013-01-10 US disclosed
US-8262941-B2 Reaction accelerator for synthesizing a conductive polymer, a conductive polymer, and a solid electrolytic capacitor TAYCA CORPORATION (JP) 2012-09-11 US disclosed
US-20120016156-A1 REACTION ACCELERATOR FOR SYNTHESIZING A CONDUCTIVE POLYMER, A CONDUCTIVE POLYMER, AND A SOLID ELECTROLYTIC CAPACITOR TAYCA CORPORATION (JP) 2012-01-19 US disclosed
US-20100165548-A1 REACTION ACCELERATOR FOR CONDUCTIVE POLYMER SYNTHESIS, CONDUCTIVE POLYMER AND SOLID ELECTROLYTIC CAPACITOR TAYCA CORPORATION (JP) 2010-07-01 US disclosed
EP-2031008-A1 REACTION ACCELERATOR FOR CONDUCTIVE POLYMER SYNTHESIS, CONDUCTIVE POLYMER AND SOLID ELECTROLYTIC CAPACITOR Tayca Corporation (JP) 2009-03-04 EP disclosed