SCHEMBL625594

SCHEMBL625594

O=C(O)CCO[PH](=O)[O-].[Na+]

nearest known ligand 0.36

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
GABRP known ✓ O00591 2/20 0.30
GABRD known ✓ O14764 2/20 0.30
GABRA1 known ✓ P14867 2/20 0.30
GABRB1 known ✓ P18505 2/20 0.30
GABRG2 known ✓ P18507 2/20 0.30
GABRB3 known ✓ P28472 2/20 0.30
GABRA5 known ✓ P31644 2/20 0.30
GABRA3 known ✓ P34903 2/20 0.30
GABRA2 known ✓ P47869 2/20 0.30
GABRB2 known ✓ P47870 2/20 0.30
GABRA4 known ✓ P48169 2/20 0.30
GABRE known ✓ P78334 2/20 0.30
GABRA6 known ✓ Q16445 2/20 0.30
GABRG1 known ✓ Q8N1C3 2/20 0.30
GABRG3 known ✓ Q99928 2/20 0.30
GABRQ known ✓ Q9UN88 2/20 0.30
LMNA P02545 4/20 0.36
EGLN1 Q9GZT9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36

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
SCHEMBL11088987 0.95 LMNA (0.36) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL11087713 0.95 LMNA (0.36) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL11197725 0.82 LMNA (0.42) LMNASLC22A6ALDH1A1TSHRNFKB1
SCHEMBL11472256 0.80 ALDH1A1 (0.47) LMNAOR51E2SLC22A6ALDH1A1TSHR
SCHEMBL434357 0.77 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL30862407 0.76
SCHEMBL3073339 0.75
SCHEMBL11088981 0.73 LMNA (0.38) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL1871361 0.73
SCHEMBL11087712 0.73 LMNA (0.38) LMNAEGLN1ALKBH5SUCNR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024152094-A1 METHOD FOR REDUCING THE COLOURING OF SUGAR, PROCESS FOR PRODUCING SUGAR WITH LOW COLOUR, COMPOSITION AND USE OF A CHELATING AGENT ITALMATCH CHEMICALS SPA (IT) 2024-07-25 WO claimed
EP-2603613-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RDM Empreendimentos e Participaçöes S.A. (BR) 2013-06-19 EP claimed
WO-2012019266-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR FILHO JOSE RAIMUNDO (BR) 2012-02-16 WO claimed
WO-2024152094-A1 METHOD FOR REDUCING THE COLOURING OF SUGAR, PROCESS FOR PRODUCING SUGAR WITH LOW COLOUR, COMPOSITION AND USE OF A CHELATING AGENT ITALMATCH CHEMICALS SPA (IT) 2024-07-25 WO disclosed
US-9587285-B2 Method and composition for reducing the color of sugar RAIMUNDO FILHO JOSÉ (BR) 2017-03-07 US disclosed
EP-2603613-B1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RDM EMPREENDIMENTOS E PARTICIPAÇÖES S A (BR) 2015-04-08 EP disclosed
US-20130239953-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RAIMUNDO FILHO JOSE (BR) 2013-09-19 US disclosed
EP-2603613-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RDM Empreendimentos e Participaçöes S.A. (BR) 2013-06-19 EP disclosed
WO-2012019266-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR FILHO JOSE RAIMUNDO (BR) 2012-02-16 WO disclosed