SCHEMBL4628639

SCHEMBL4628639

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

nearest known ligand 0.47

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 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
STS P08842 6/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NR1I2 O75469 1/20 0.45
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
ELANE P08246 1/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8958941 1.00 MMP2 (0.47) MMP2MMP9MMP14STSTSHR
SCHEMBL10499208 1.00 MMP2 (0.47) MMP2MMP9MMP14STSTSHR
SCHEMBL8958823 0.96 MMP2 (0.50) MMP2MMP9MMP14STSTSHR
SCHEMBL15602838 0.89 DGKA (0.51) MMP2MMP9MMP14STSTSHR
SCHEMBL20959757 0.89 DGKA (0.51) MMP2MMP9MMP14STSTSHR
SCHEMBL10775759 0.88 MMP2 (0.57) MMP2MMP9MMP14STSTSHR
SCHEMBL9352787 0.87 S1PR3 (0.50) MMP2MMP9MMP14STSTSHR
SCHEMBL9352816 0.87 S1PR3 (0.50) MMP2MMP9MMP14STSTSHR
SCHEMBL4629619 0.87 S1PR3 (0.50) MMP2MMP9MMP14STSTSHR
Hydrochloric Acid SCHEMBL10701272 0.87 MMP2 (0.56) MMP2MMP9MMP14STSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1563048-B1 PROCESS OF REMOVING STAINS RECKITT BENCKISER NV (NL) 2008-05-07 EP claimed
US-7255112-B2 Process of removing stains RECKITT BENCKISER N.V. (NL) 2007-08-14 US claimed
US-20060042662-A1 Process of removing stains RECKITT BENCKISER FINISH B.V. (NL) 2006-03-02 US claimed
EP-1563048-A1 PROCESS OF REMOVING STAINS Reckitt Benckiser N.V. (NL) 2005-08-17 EP claimed
WO-2004048507-A1 PROCESS OF REMOVING STAINS RECKITT BENCKISER N.V. (NL) 2004-06-10 WO claimed
EP-1563048-B1 PROCESS OF REMOVING STAINS RECKITT BENCKISER NV (NL) 2008-05-07 EP disclosed
US-7255112-B2 Process of removing stains RECKITT BENCKISER N.V. (NL) 2007-08-14 US disclosed
US-20060042662-A1 Process of removing stains RECKITT BENCKISER FINISH B.V. (NL) 2006-03-02 US disclosed
EP-1563048-A1 PROCESS OF REMOVING STAINS Reckitt Benckiser N.V. (NL) 2005-08-17 EP disclosed
EP-1543763-A1 Ingredient dispenser for automatic dishwashers UNILEVER N.V. (NL) 2005-06-22 EP disclosed
WO-2004048507-A1 PROCESS OF REMOVING STAINS RECKITT BENCKISER N.V. (NL) 2004-06-10 WO disclosed
EP-0202698-B2 P-sulphophenyl alkyl carbonates and their use as bleaching activators AKZO NOBEL NV (NL) 1996-01-24 EP disclosed
US-5043089-A Bleach activators AKZO N.V. (NL) 1991-08-27 US disclosed
EP-0384912-A2 Hydroxamate bleach stabilizer MONSANTO COMPANY (US) 1990-08-29 EP disclosed
EP-0384911-A2 Stabilized compositions containing peroxygen compounds MONSANTO COMPANY (US) 1990-08-29 EP disclosed
EP-0202698-B1 P-SULPHOPHENYL ALKYL CARBONATES AND THEIR USE AS BLEACHING ACTIVATORS Akzo Nobel N.V. (NL) 1989-10-25 EP disclosed
EP-0202698-A1 P-sulphophenyl alkyl carbonates and their use as bleaching activators Akzo Nobel N.V. (NL) 1986-11-26 EP disclosed