SCHEMBL1249882

SCHEMBL1249882

CCCCCCCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.54

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 15)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.48
PTGS2 known ✓ P35354 1/20 0.46
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR1I2 O75469 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
STS P08842 4/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6325898 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL5706178 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL3192403 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL9780310 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL133846 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL3063106 1.00 KMT2A (0.54) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL7191365 0.98 KMT2A (0.52) KMT2ASMN1; SMN2CA2NR1I2NPC1
Potassium Ion SCHEMBL6902487 0.97 KMT2A (0.54) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL8820326 0.92 KMT2A (0.48) KMT2ASMN1; SMN2CA2NR1I2NPC1
SCHEMBL31314548 0.92 KMT2A (0.48) KMT2ASMN1; SMN2CA2NR1I2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000078676-A1 USE OF ACTIVATED PHYLLOSILICATES IN NON-AQUEOUS LIQUID DETERGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-12-28 WO claimed
US-4539130-A SULFONATE AND CARBOXYLIC ACID ESTERS, ANHYDRIDES AND IMIDE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1985-09-03 US claimed
EP-2536815-B1 USE OF LIPOSOMES FOR THE TREATMENT OF TEXTILE MATERIALS LIPOTEC SA (ES) 2018-07-11 EP disclosed
US-9717659-B2 Liposomes for the treatment of textile materials LIPOTEC, S.A. (ES) 2017-08-01 US disclosed
EP-3114933-A1 STAR BLOCK COMB POLYMERS AS BIOACTIVE CARRIER MATRIX FOR THE DRUG ELUTING SEMI-PERMANENT COATING OF SURFACES Henkel AG & Co. KGaA (DE) 2017-01-11 EP disclosed
US-9353361-B2 Alpha-amylase variants stabilized against dimerization and/or multimerization, method for the production thereof, and detergents and cleansers containing these alpha-amylase variants BASF SE (DE) 2016-05-31 US disclosed
EP-1794292-B1 ALPHA-AMYLASE VARIANTS STABILIZED AGAINST DIMERIZATION AND/OR MULTIMERIZATION, METHOD FOR THE PRODUCTION THEREOF, AND DETERGENTS AND CLEANSERS CONTAINING THESE ALPHA-AMYLASE VARIANTS BASF SE (DE) 2015-12-30 EP disclosed
US-20150118733-A1 Alpha-Amylase Variants Stabilized Against Dimerization and/or Multimerization, Method for the Production Thereof, and Detergents and Cleansers Containing these Alpha-Amylase Variants BASF SE (DE) 2015-04-30 US disclosed
US-8785365-B2 Alpha-amylase variants stabilized against dimerization and/or multimerization, method for the production thereof, and detergents and cleansers containing these alpha-amylase variants BASF SE (DE) 2014-07-22 US disclosed
EP-1463810-B1 Glycosyl hydrolase BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2014-05-14 EP disclosed
US-8580549-B2 Esterases for separating plastics HENKEL KGAA (DE) 2013-11-12 US disclosed
EP-0269168-A2 Softening detergent compositions containing cellulase THE PROCTER & GAMBLE COMPANY (US) 1988-06-01 EP disclosed
EP-0150532-B1 PEROXYGEN BLEACH ACTIVATORS AND BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1988-05-04 EP disclosed
EP-0242918-A1 Softening and bleaching detergent compositions containing amide softening agent THE PROCTER & GAMBLE COMPANY (US) 1987-10-28 EP disclosed
EP-0242919-A1 Softening detergent compositions containing amide softening agent THE PROCTER & GAMBLE COMPANY (US) 1987-10-28 EP disclosed
US-4588532-A Preparation of para-acyloxybenzene sulfonates RHONE-POULENC CHIMIE DE BASE (FR) 1986-05-13 US disclosed
US-4539130-A SULFONATE AND CARBOXYLIC ACID ESTERS, ANHYDRIDES AND IMIDE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1985-09-03 US disclosed
EP-0150532-A1 Peroxygen bleach activators and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1985-08-07 EP disclosed
US-4486327-A FOR PEROXYGEN COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1984-12-04 US disclosed
US-4483778-A Peroxygen bleach activators and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1984-11-20 US disclosed