SCHEMBL8380756

SCHEMBL8380756

O=S(=O)([O-])CCOCCOCCOCCOCCO.[Na+]

nearest known ligand 0.50

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
THRB known ✓ P10828 1/20 0.35
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THPO P40225 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPEP Q07075 2/20 0.33

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
SCHEMBL1356132 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL1356925 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL306714 0.98 TSHR (0.48) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL8529764 0.87 MEN1 (0.46) MEN1KMT2ATSHRMAPK1MAPT
Hexaethylene Glycol SCHEMBL11299109 0.85 MEN1 (0.61) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL8532301 0.84 TSHR (0.43) MEN1KMT2ATSHRMAPK1MAPT
Di(Hydroxyethyl)Ether SCHEMBL28142382 0.83 TSHR (0.59) MEN1KMT2ATSHRMAPK1MAPT
Di(Hydroxyethyl)Ether SCHEMBL15740534 0.83 TSHR (0.59) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL27502688 0.83 MAPT (0.39) MEN1KMT2ATSHRMAPK1MAPT
Di(Hydroxyethyl)Ether SCHEMBL28998971 0.78 TSHR (0.53) MEN1KMT2ATSHRMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797655-B1 ESTER OLIGOMERS SUITABLE AS SOIL RELEASE AGENTS IN DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 1999-04-14 EP disclosed
US-5843878-A Detergent compositions comprising soil release agents PROCTER & GAMBLE COMPANY (US) 1998-12-01 US disclosed
CN-1175277-A Ester oligomers suitable for use as soil release agents in detergent compositions PROCTER & GAMBLE (US) 1998-03-04 CN disclosed
US-5691298-A DIHYDROXY OR POLYHYDROXY SULFONATES WITH ESTER GROUPS, TEREPHTHALOYL AND UNSULFONATE AND CAPPING GROUPS THE PROCTER & GAMBLE COMPANY (US) 1997-11-25 US disclosed
EP-0797655-A2 ESTER OLIGOMERS SUITABLE AS SOIL RELEASE AGENTS IN DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-10-01 EP disclosed
EP-0707626-B1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS PROCTER & GAMBLE (US) 1997-05-02 EP disclosed
EP-0707627-B1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS PROCTER & GAMBLE (US) 1997-01-08 EP disclosed
WO-1996018715-A2 ESTER OLIGOMERS SUITABLE AS SOIL RELEASE AGENTS IN DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-20 WO disclosed
EP-0707627-A1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS PROCTER & GAMBLE (US) 1996-04-24 EP disclosed
EP-0707626-A1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS PROCTER & GAMBLE (US) 1996-04-24 EP disclosed
WO-1995002029-A1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-01-19 WO disclosed
WO-1995002030-A1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-01-19 WO disclosed