SCHEMBL1146885

SCHEMBL1146885

CCCCCc1cc2ccccc2c(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.44

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
CA2 known ✓ P00918 1/20 0.35
MAPT P10636 2/20 0.44
TLR8 Q9NR97 2/20 0.43
FUT7 Q11130 1/20 0.37
ALOX12 P18054 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
ATM Q13315 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
NR1I2 O75469 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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 0.99 MAPT (0.46) MAPTTLR8FUT7ALOX12LIPG
SCHEMBL1146279 0.99 MAPT (0.46) MAPTTLR8FUT7ALOX12LIPG
SCHEMBL6545632 0.99 MAPT (0.46) MAPTTLR8FUT7ALOX12LIPG
SCHEMBL1146958 0.96 TLR8 (0.41) MAPTTLR8GPR84ATMNR1I2
SCHEMBL11406960 0.89 MAPT (0.42) MAPTTLR8FUT7ALOX12GPR84
SCHEMBL18141388 0.88 MAPT (0.44) MAPTTLR8FUT7ATMLIPG
SCHEMBL18139671 0.88 MAPT (0.44) MAPTTLR8FUT7ATMLIPG
SCHEMBL18141275 0.88 MAPT (0.44) MAPTTLR8FUT7ATMLIPG
SCHEMBL1109611 0.88 MAPT (0.44) MAPTTLR8FUT7ATMLIPG
SCHEMBL18139114 0.88 MAPT (0.44) MAPTTLR8FUT7ATMLIPG

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
US-7883830-B2 Photosensitive planographic printing plate Kodak Japan Ltd. and NEC Engineering Ltd. (JP) 2011-02-08 US disclosed
US-20080280228-A1 With a photosensitive layer; a photopolymerizable compound, a copolymer undercoat layer from alkoxyvinyl silanes, polyethers, vinyl phosphoric acid, acrylic monomers KODAK GRAPHIC COMMUNICATIONS JAPAN LTD. (JP) 2008-11-13 US disclosed
EP-1865378-A1 PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE Kodak Graphic Communications Japan Ltd. (JP) 2007-12-12 EP disclosed