SCHEMBL6545632

SCHEMBL6545632

CCCCCCCCCCCCc1cc2ccccc2c(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TLR8 Q9NR97 2/20 0.42
FUT7 Q11130 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNH2 Q12809 6/20 0.36
ALOX12 P18054 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
SCHEMBL1146688 1.00 MAPT (0.46) MAPTTLR8FUT7LIPGCTSV
SCHEMBL1146279 1.00 MAPT (0.46) MAPTTLR8FUT7LIPGCTSV
SCHEMBL1146885 0.99 MAPT (0.44) MAPTTLR8FUT7LIPGCTSV
SCHEMBL1146958 0.94 TLR8 (0.41) MAPTTLR8GAA
SCHEMBL18141388 0.90 MAPT (0.44) MAPTTLR8FUT7LIPGCTSV
SCHEMBL1109611 0.90 MAPT (0.44) MAPTTLR8FUT7LIPGCTSV
SCHEMBL18141275 0.90 MAPT (0.44) MAPTTLR8FUT7LIPGCTSV
SCHEMBL18139114 0.90 MAPT (0.44) MAPTTLR8FUT7LIPGCTSV
SCHEMBL18141645 0.90 MAPT (0.44) MAPTTLR8FUT7LIPGCTSV
SCHEMBL9192312 0.90 MAPT (0.44) MAPTTLR8FUT7LIPGCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960900-B1 Thermoplastic laminate film TOYO BOSEKI (JP) 2004-01-14 EP disclosed
US-6194061-B1 MULTILAYER; POLYESTER GRAFT COPOLYMER LAYER OVERCOATING TOYO BOSEKI KABUSHIKI KAISHA (JP) 2001-02-27 US disclosed
EP-0960900-A2 Thermoplastic laminate film Toyo Boseki Kabushiki Kaisha (JP) 1999-12-01 EP disclosed