SCHEMBL2853587

SCHEMBL2853587

CCCCCCOc1c2ccccc2c(OCCCCCC)c2cc(S(=O)(=O)[O-])ccc12.[Na+]

nearest known ligand 0.41

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
CA12 known ✓ O43570 1/20 0.37
CA1 known ✓ P00915 1/20 0.37
CA2 known ✓ P00918 1/20 0.37
NR1I2 O75469 2/20 0.41
TSHR P16473 3/20 0.41
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41
S1PR3 Q99500 1/20 0.40
ABCB1 P08183 4/20 0.39
ABCC1 P33527 3/20 0.39
SLC2A1 P11166 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PSEN1 P49768 1/20 0.36

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
SCHEMBL9589383 0.86 S1PR3 (0.40) NR1I2TSHRS1PR3ABCB1ABCC1
SCHEMBL9588475 0.86 S1PR3 (0.40) NR1I2TSHRS1PR3ABCB1ABCC1
SCHEMBL2858146 0.86 S1PR3 (0.54) NR1I2TSHRS1PR3ABCB1ABCC1
SCHEMBL2853589 0.85 S1PR3 (0.53) NR1I2TSHRS1PR3ABCB1ABCC1
SCHEMBL9588542 0.85 PTPN1 (0.38) TSHRMAPK1S1PR3ABCB1ABCC1
SCHEMBL12627607 0.81 S1PR3 (0.47) TSHRRECQLMAPK1S1PR3ABCB1
SCHEMBL9588461 0.81 TSHR (0.42) TSHRRECQLMAPK1ABCB1ABCC1
Tetrabuthylammonium SCHEMBL2859336 0.79 MAPK1 (0.39) NR1I2TSHRMAPK1SLC2A1PSEN1
SCHEMBL20398511 0.79 FAAH (0.53) NR1I2TSHRMAPK1FAAHMGLL
SCHEMBL19583354 0.79 FAAH (0.53) NR1I2TSHRMAPK1FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146359-B1 Solid electrolytic capacitor and method for producing the same MURATA MANUFACTURING CO (JP) 2012-05-16 EP disclosed
EP-2146359-A1 Solid electrolytic capacitor and method for producing the same SHOWA DENKO KABUSHIKI KAISHA (JP) 2010-01-20 EP disclosed
EP-1988556-B1 Solid electrolytic capacitor and method for producing the same SHOWA DENKO KK (JP) 2010-01-13 EP disclosed
EP-0971382-B1 SOLID ELECTROLYTIC CAPACITOR AND PROCESS FOR THE PRODUCTION THEREOF SHOWA DENKO KK (JP) 2009-04-22 EP disclosed
EP-1988556-A2 Solid electrolytic capacitor and method for producing the same Showa Denko K.K. (JP) 2008-11-05 EP 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