SCHEMBL2858129

SCHEMBL2858129

COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.[Na+]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
TUBB4A known ✓ P04350 1/20 0.41
TUBB known ✓ P07437 1/20 0.41
TUBA3C known ✓ P0DPH7 1/20 0.41
TUBA1B known ✓ P68363 1/20 0.41
TUBA4A known ✓ P68366 1/20 0.41
TUBB4B known ✓ P68371 1/20 0.41
TUBB3 known ✓ Q13509 1/20 0.41
TUBB2A known ✓ Q13885 1/20 0.41
TUBB8 known ✓ Q3ZCM7 1/20 0.41
TUBA3E known ✓ Q6PEY2 1/20 0.41
TUBA1A known ✓ Q71U36 1/20 0.41
TUBA1C known ✓ Q9BQE3 1/20 0.41
TUBB6 known ✓ Q9BUF5 1/20 0.41
TUBB2B known ✓ Q9BVA1 1/20 0.41
TUBB1 known ✓ Q9H4B7 1/20 0.41
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.46

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
SCHEMBL51756 0.88 KDM4E (0.43) KDM4EALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL948654 0.84 TUBB4A (0.45) KDM4EALDH1A1MAPK1SMN1; SMN2KMT2A
Tetrabuthylammonium SCHEMBL2859336 0.83 MAPK1 (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL30043755 0.83 SMN1; SMN2 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL601324 0.83 ALDH1A1 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL600822 0.83 SMN1; SMN2 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL29868203 0.83 ALDH1A1 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL8588357 0.83 ALDH1A1 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL29432545 0.83 ALDH1A1 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL950836 0.82 TUBB4A (0.43) KDM4EALDH1A1MAPK1SMN1; SMN2KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10731062-B2 Gas-generating material and micropump SEKISUI CHEMICAL CO., LTD. (JP) 2020-08-04 US disclosed
EP-2860167-B1 GAS GENERATING MATERIAL, AND MICROPUMP SEKISUI CHEMICAL CO LTD (JP) 2020-04-29 EP disclosed
US-20150232714-A1 GAS-GENERATING MATERIAL AND MICROPUMP SEKISUI CHEMICAL CO., LTD. (JP) 2015-08-20 US disclosed
EP-2907798-A1 GAS-GENERATING MATERIAL AND MICROPUMP Sekisui Chemical Co., Ltd. (JP) 2015-08-19 EP disclosed
CN-103717553-B Gas generating material and micropump SEKISUI CHEMICAL CO.,LTD. (JP) 2015-08-19 CN disclosed
EP-2860167-A1 GAS GENERATING MATERIAL, AND MICROPUMP Sekisui Chemical Co., Ltd. (JP) 2015-04-15 EP disclosed
US-8986630-B2 Gas-generating material and micro pump SEKISUI CHEMICAL CO., LTD. (JP) 2015-03-24 US disclosed
CN-104350030-A Gas-generating material and micropump SEKISUI CHEMICAL CO LTD 2015-02-11 CN disclosed
US-20140161687-A1 GAS-GENERATING MATERIAL AND MICRO PUMP SEKISUI CHEMICAL CO., LTD. (JP) 2014-06-12 US disclosed
CN-103717553-A Gas generating material, and micropump SEKISUI CHEMICAL CO LTD 2014-04-09 CN disclosed
CN-101027337-A Polymerizable composition TOYO INK MFG CO (JP) 2007-08-29 CN disclosed
US-7175781-B2 Valve acting metal having pores, dielectric film formed on surface, and electroconductive polythiophene as solid electrolyte provided on dielectric film; improved moisture/heat/thermal stess resistance SHOWA DENKO K.K. (JP) 2007-02-13 US disclosed
US-20050030703-A1 Solid electrolytic capacitor and method for producing the same SHOWA DENKO K.K. 2005-02-10 US disclosed
US-6807049-B2 SOLID ELECTROLYTE LAYER COMPRISES A COMPOSITION CONTAINING A PI -ELECTRON CONJUGATE POLYMER AND/OR OTHER ELECTRICALLY CONDUCTING POLYMER, A CONDENSED HETEROPOLYCYCLIC POLYMER SHOWA DENKO K.K. (JP) 2004-10-19 US disclosed
US-6790384-B2 VALVE METAL HAVING MICROFINE PORES; DIELECTRIC FILM; LAMELLAR STRUCTURE; HEAT AND STRESS RESISTANCE; WATERPROOFING SHOWA DENKO K.K. (JP) 2004-09-14 US disclosed
US-20020039274-A1 SOLID ELECTROLYTE LAYER COMPRISES A COMPOSITION CONTAINING A PI -ELECTRON CONJUGATE POLYMER AND/OR OTHER ELECTRICALLY CONDUCTING POLYMER, A CONDENSED HETEROPOLYCYCLIC POLYMER SHOWA DENKO K.K. 2002-04-04 US disclosed
US-20020034060-A1 VALVE METAL HAVING MICROFINE PORES; DIELECTRIC FILM; LAMELLAR STRUCTURE; HEAT AND STRESS RESISTANCE; WATERPROOFING SHOWA DENKO K.K. 2002-03-21 US disclosed
US-6351370-B1 Solid electrolytic capacitor and method for producing the same SHOWA DENKO K.K. (JP) 2002-02-26 US disclosed
EP-0971382-A1 SOLID ELECTROLYTIC CAPACITOR AND PROCESS FOR THE PRODUCTION THEREOF Showa Denko K K (JP) 2000-01-12 EP disclosed
US-5707776-A PHOTORESISTS FOR MANUFACTURE OF INTEGRATED CIRCUITS, SENSITIVE TO EXCIMER LASER RADIATION, BLOCK POLYMERS OF PHENOLIC RESINS AND DICYCLOPENTADIENE MODIFIED PHENOLIC RESINS FUJI PHOTO FILM CO., LTD. (JP) 1998-01-13 US disclosed