SCHEMBL4457612

SCHEMBL4457612

C=CCOC(CC)OS(=O)(=O)[O-].[Na+]

nearest known ligand 0.31

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 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5567793 0.80 MEN1 (0.32) MEN1KMT2A
SCHEMBL5303308 0.76 MEN1 (0.40) MEN1KMT2A
Lithium Ion SCHEMBL17456584 0.75 THRB (0.31)
SCHEMBL28375975 0.74 MEN1 (0.33) MEN1KMT2A
Sulfuric Acid SCHEMBL4457625 0.73 TSHR (0.33) MEN1KMT2A
SCHEMBL525966 0.72
SCHEMBL5611780 0.70 MEN1 (0.37) MEN1KMT2A
Lithium Ion SCHEMBL17456430 0.69 MEN1 (0.30) MEN1KMT2A
SCHEMBL28921921 0.68 RECQL (0.31)
Alcohol SCHEMBL368232 0.66 RECQL (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517868-B1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2009-11-18 EP disclosed
US-6939402-B2 Cement admixture having superior water-reducing properties and method for preparing the same LG CHEM, LTD. (KR) 2005-09-06 US disclosed
EP-1517868-A1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG Chem, Ltd. (KR) 2005-03-30 EP disclosed
US-20040118324-A1 Cement admixture having superior water-reducing properties and method for preparing the same LG CHEM, LTD. 2004-06-24 US disclosed
WO-2004002917-A1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2004-01-08 WO disclosed