SCHEMBL8957424

SCHEMBL8957424

O=C([O-])CCC(=O)OOCC(=O)O.[Na+]

nearest known ligand 0.35

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 13)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.35
THRB known ✓ P10828 1/20 0.30
FFAR3 O14843 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
ELANE P08246 1/20 0.32
FOLH1 Q04609 1/20 0.32
TSHR P16473 1/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 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
SCHEMBL1690889 1.00 CA1 (0.35) CA1FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL11742623 0.98 CA1 (0.34) CA1FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL11743473 0.98 CA1 (0.34) CA1FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL11544049 0.96 CA1 (0.32) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL11393564 0.96 CA1 (0.32) CA1FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL11542915 0.96 CA1 (0.32) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL94603 0.87 TSHR (0.39) FOLH1TSHRCTHCBSTHPO
SCHEMBL94605 0.82 LMNA (0.45) FOLH1TSHRCTHCBSTHPO
SCHEMBL11411214 0.82 FFAR3 (0.33) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL11684412 0.81 CA4 (0.42) TSHRCTHCBSTHPOTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066924-A2 Detergent powders of improved solubility UNILEVER N.V. (NL) 1982-12-15 EP claimed
US-4058560-A TRIALKALI METAL CARBOXYMETHYLOXY SUCCINATE ETHYL CORPORATION (US) 1977-11-15 US claimed
CN-114829488-A Polyvinyl alcohol film 株式会社可乐丽 2022-07-29 CN disclosed
EP-0299561-B1 Perfume and bleach compositions UNILEVER NV (NL) 1996-01-10 EP disclosed
EP-0421327-B1 Heavy duty laundry detergent ALBEMARLE CORP (US) 1995-12-20 EP disclosed
EP-0217454-B1 NON-AQUEOUS LIQUID DETERGENT COMPOSITION AND PERBORATE ANHYDROUS UNILEVER N.V. (NL) 1992-03-11 EP disclosed
EP-0421327-A1 Heavy duty laundry detergent ALBEMARLE CORPORATION (US) 1991-04-10 EP disclosed
EP-0383482-A2 Granular automatic dishwasher detergent composition providing glassware protection THE PROCTER & GAMBLE COMPANY (US) 1990-08-22 EP disclosed
US-4923631-A MONOPERSULFATE SALTS AND-OR ORGANIC PEROXYACIDS LEVER BROTHERS COMPANY (US) 1990-05-08 US disclosed
EP-0299561-A2 Perfume and bleach compositions UNILEVER N.V. (NL) 1989-01-18 EP disclosed
US-4772412-A SODIUM PERBORATE, PEROXY ACID BLEACH PRECURSOR LEVER BROTHERS COMPANY (US) 1988-09-20 US disclosed
US-4379069-A Detergent powders of improved solubility LEVER BROTHERS COMPANY (US) 1983-04-05 US disclosed
EP-0066924-A2 Detergent powders of improved solubility UNILEVER N.V. (NL) 1982-12-15 EP disclosed
EP-0054436-A1 Controlled-sudsing detergent compositions UNILEVER PLC (GB) 1982-06-23 EP disclosed
US-4326979-A NONIONIC SURFACTANT, SOLVENT, ALKALINE MATERIAL, BUILDER AND HYDROLYZED COPOLYMER OF MALEIC ANHYDRIDE AND ETHYLENE OR METHYL VINYL ETHER; STORAGE STABILITY; LEVER BROTHERS COMPANY (US) 1982-04-27 US disclosed
EP-0028849-A1 Non-aqueous, built liquid detergent composition and method for preparing same UNILEVER N.V. (NL) 1981-05-20 EP disclosed
US-4137260-A SEEDING WITH TETRAHYDRATE OR PENTAHYDRATE CRYSTALS ETHYL CORPORATION (US) 1979-01-30 US disclosed
US-4100188-A RECOVERING AN ALKALI METAL, AMMONIUM, OR AMINE SALT OF CARBOXYALKOXY SUCCINIC ACIDS ETHYL CORPORATION (US) 1978-07-11 US disclosed
US-4071476-A BIODEGRADABLE TEXACO INC. (US) 1978-01-31 US disclosed
US-4039464-A ALKALI METAL SALTS OF DIACIDS TEXACO INC. (US) 1977-08-02 US disclosed