SCHEMBL2380899

SCHEMBL2380899

CC(C)CCCCCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.45

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
F10 known ✓ P00742 1/20 0.37
CA2 known ✓ P00918 2/20 0.36
KMT2A Q03164 5/20 0.45
FUT7 Q11130 1/20 0.42
NR1I2 O75469 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RARB P10826 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MEN1 O00255 1/20 0.37
SLC22A2 O15244 1/20 0.37
TMPRSS2 O15393 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37

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
Potassium Ion SCHEMBL10498075 0.97 KMT2A (0.45) KMT2AFUT7NR1I2MAPTALDH1A1
SCHEMBL2488830 0.88 KMT2A (0.46) KMT2AFUT7MAPTALDH1A1LMNA
SCHEMBL133846 0.85 KMT2A (0.54) KMT2ANR1I2MAPTALDH1A1LMNA
SCHEMBL9780310 0.85 KMT2A (0.54) KMT2ANR1I2MAPTALDH1A1LMNA
SCHEMBL6325898 0.85 KMT2A (0.54) KMT2ANR1I2MAPTALDH1A1LMNA
SCHEMBL3063106 0.85 KMT2A (0.54) KMT2ANR1I2MAPTALDH1A1LMNA
SCHEMBL3192403 0.85 KMT2A (0.54) KMT2ANR1I2MAPTALDH1A1LMNA
SCHEMBL1249882 0.85 KMT2A (0.54) KMT2ANR1I2MAPTALDH1A1LMNA
SCHEMBL5706178 0.85 KMT2A (0.54) KMT2ANR1I2MAPTALDH1A1LMNA
SCHEMBL7191365 0.83 KMT2A (0.52) KMT2ANR1I2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013043460-A1 BLEACHING COMPOSITION FOR FOOD STAINS THE PROCTER & GAMBLE COMPANY (US) 2013-03-28 WO claimed
EP-2573158-A1 Bleaching composition for food stains The Procter and Gamble Company (US) 2013-03-27 EP claimed
US-20130067663-A1 BLEACHING OF FOOD STAINS THE PROCTER & GAMBLE COMPANY (US) 2013-03-21 US claimed
EP-2556140-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS The Procter & Gamble Company (US) 2013-02-13 EP claimed
US-20120131754-A1 BLEACHING OF FOOD STAINS PROCTER & GAMBLE COMPANY, THE 2012-05-31 US claimed
WO-2012071153-A1 IMPROVED BLEACHING OF FOOD STAINS THE PROCTER & GAMBLE COMPANY (US) 2012-05-31 WO claimed
EP-2457988-A1 Improved bleaching of food stains The Procter & Gamble Company (US) 2012-05-30 EP claimed
WO-2011127102-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO claimed
US-20110240510-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY 2011-10-06 US claimed
WO-2010124823-A1 LAUNDRY DETERGENT COMPOSITIONS CLARIANT INTERNATIONAL LTD (CH) 2010-11-04 WO claimed
US-20250236819-A1 CLEANING COMPOSITION Haleon UK IP Limited (GB) 2025-07-24 US disclosed
EP-4507665-A1 CLEANING COMPOSITION Haleon UK IP Limited (GB) 2025-02-19 EP disclosed
WO-2023198784-A1 CLEANING COMPOSITION GLAXOSMITHKLINE CONSUMER HEALTHCARE (UK) IP LIMITED (GB) 2023-10-19 WO disclosed
EP-3743492-A1 SOLID CLEANING COMPOSITION ECOLAB USA INC. (US) 2020-12-02 EP disclosed
CN-111788287-A Solid cleaning composition 埃科莱布美国股份有限公司 2020-10-16 CN disclosed
EP-0502013-A1 USE OF HETEROCYCLIC COMPOUNDS AS BLEACH ACTIVATORS OR OPTICAL LIGHTENERS IN WASHING AND CLEANING AGENTS. BASF AG (DE) 1992-09-09 EP disclosed
EP-0456109-A2 Process for producing granular bleaching activator composition BASF Aktiengesellschaft (DE) 1991-11-13 EP disclosed
WO-1991008279-A2 USE OF HETEROCYCLIC COMPOUNDS AS BLEACH ACTIVATORS OR OPTICAL LIGHTENERS IN WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1991-06-13 WO disclosed
EP-0164786-B1 A PROCESS FOR THE PREPARATION OF P-ISONONANOYLOXYBENZENENESULPHONATE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-06-14 EP disclosed
EP-0164786-A2 A process for the preparation of p-isononanoyloxybenzenenesulphonate SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-12-18 EP disclosed