SCHEMBL1040366

SCHEMBL1040366

O=C(O)COc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.73

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
ALDH1A1 P00352 3/20 0.73
ALOX15 P16050 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.51
IDO1 P14902 1/20 0.51
PTPN7 P35236 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN12 Q05209 1/20 0.50
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 1/20 0.49
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL3389364 0.85 ALDH1A1 (0.53) ALDH1A1IDO1MEN1KMT2AGAA
SCHEMBL10339161 0.85 ALDH1A1 (1.00) ALDH1A1ALOX15SMN1; SMN2FFAR1IDO1
SCHEMBL32679596 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15SMN1; SMN2FFAR1IDO1
SCHEMBL11753256 0.83 ALDH1A1 (0.76) ALDH1A1ALOX15SMN1; SMN2FFAR1IDO1
SCHEMBL339492 0.82 ALOX15 (0.81) ALDH1A1ALOX15SMN1; SMN2FFAR1PTPN7
SCHEMBL1040365 0.81 ALDH1A1 (0.73) ALDH1A1ALOX15SMN1; SMN2FFAR1IDO1
SCHEMBL3576066 0.81 ALDH1A1 (0.73) ALDH1A1ALOX15MEN1KMT2ATSHR
SCHEMBL7363412 0.81 ALDH1A1 (0.73) ALDH1A1ALOX15SMN1; SMN2FFAR1IDO1
SCHEMBL5316483 0.81 ALDH1A1 (0.73) ALDH1A1ALOX15SMN1; SMN2FFAR1IDO1
Lithium Ion SCHEMBL32679595 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15SMN1; SMN2FFAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318176-B1 Color enhancement for resin blends SABIC INNOVATIVE PLASTICS IP (NL) 2011-01-26 EP disclosed
EP-1299582-B1 A PROCESS TO PREPARE MELT-COLORED POLYMERIC FIBERS SABIC INNOVATIVE PLASTICS IP (NL) 2008-10-08 EP disclosed
US-20030146536-A1 Color enhancement for resin blends GENERAL ELECTRIC COMPANY 2003-08-07 US disclosed
US-20030129398-A1 Process to prepare polymeric fibers with improved color and appearance GENERAL ELECTRIC COMPANY 2003-07-10 US disclosed
EP-1318176-A1 Color enhancement for resin blends GENERAL ELECTRIC COMPANY (US) 2003-06-11 EP disclosed
US-6495079-B1 MELT BLENDING POLYAMIDE OR POLYESTER RESIN, COLORANT AND WATER INSOLUBLE ALKYLENE ARYL POLYESTER SULFONATE SALT COPOLYMER HAVING METAL SULFONATE UNITS, FORMING INTO FILAMENTS, DRAWING INTO FIBERS HAVING IMPROVED COLOR STRENGTH PRISMA FIBERS, INC. 2002-12-17 US disclosed