SCHEMBL6000149

SCHEMBL6000149

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

nearest known ligand 0.55

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 10)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 5/20 0.55
CA2 known ✓ P00918 1/20 0.32
CA1 known ✓ P00915 2/20 0.31
CASP1 P29466 1/20 0.38
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
FAHD1 Q6P587 1/20 0.32

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
Potassium Ion SCHEMBL18804464 0.97 CA4 (0.52) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL3818098 0.97 CA4 (0.52) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL16150006 0.97 CA4 (0.59) CA4CASP1FFAR3HDAC3HDAC1
Silver SCHEMBL3793385 0.97 CA4 (0.52) CA4CASP1FFAR3HDAC3HDAC1
Potassium Ion SCHEMBL5571061 0.97 CA4 (0.52) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL11350148 0.94 CA4 (0.48) CA4CASP1
Silver SCHEMBL3692335 0.94 CA4 (0.48) CA4CASP1
SCHEMBL9705608 0.94 CA4 (0.55) CA4CASP1
SCHEMBL11206186 0.94 CA4 (0.48) CA4CASP1
Potassium Ion SCHEMBL17770566 0.94 CA4 (0.48) CA4CASP1FAHD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106094-A1 Red blood cell composition PAYRAT JEAN-MARC (BE) 2004-06-03 US claimed
CN-117920737-B Cleaning and advanced oxidation remediation method for high-concentration petroleum hydrocarbon contaminated soil 大庆石油管理局有限公司 2025-01-03 CN disclosed
WO-2024144482-A1 PHARMACEUTICAL ORAL SUSPENSION COMPOSITIONS COMPRISING CHENODEOXYCHOLIC ACID (CDCA) AS ACTIVE INGREDIENT AND OTHER RELEVANT EXCIPIENTS HUMANIS SAGLIK ANONIM SIRKETI (TR) 2024-07-04 WO disclosed
CN-117920737-A Cleaning and advanced oxidation remediation method for high-concentration petroleum hydrocarbon contaminated soil 大庆石油管理局有限公司 2024-04-26 CN disclosed
CN-115305247-A Kit for hypersensitive extraction of hepatitis C virus RNA by paramagnetic particle method and extraction method thereof 武汉纺织大学 2022-11-08 CN disclosed
CN-109248150-A A kind of amoxicillin and clavulanate potassium preparation and preparation method thereof 鲁南制药集团股份有限公司 2019-01-22 CN disclosed
CN-108525016-A PEG hydrogel and the preparation method and application thereof based on chemical bond capable of being fast degraded 中国科学院化学研究所 2018-09-14 CN disclosed
CN-107768621-A A kind of preparation method of LiFePO4/graphene/carbon composite positive pole 郴州博太超细石墨股份有限公司 2018-03-06 CN disclosed
CN-107706379-A A kind of preparation method of phosphoric acid vanadium lithium/graphene/carbon composite positive pole 郴州博太超细石墨股份有限公司 2018-02-16 CN disclosed
CN-107706380-A A kind of method that phosphoric acid vanadium lithium/grapheme composite positive electrode material is prepared in Metal Substrate 郴州博太超细石墨股份有限公司 2018-02-16 CN disclosed
CN-1857222-A Submicron docetaxel emulsion for intravenous injection and its preparing process CHINA MEDICINE RES DEV CT CO L (CN) 2006-11-08 CN disclosed
US-20060153804-A1 Nucleic acid coated particles POWDERJECT RESEARCH LIMITED 2006-07-13 US disclosed
CN-1694721-A Nucleic acid coated particles POWDERJECT RES LTD (GB) 2005-11-09 CN disclosed
US-6046107-A FORMING COPPER OR ALLOY INTERCONNECT IN HIGH ASPECT RATIO HOLE IN SEMICONDUCTOR CHIP SUBSTRATE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2000-04-04 US disclosed
EP-0345660-B1 STABILIZED FGF COMPOSITION AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
EP-0345660-A1 Stabilized FGF composition and production thereof Takeda Chemical Industries, Ltd. (JP) 1989-12-13 EP disclosed
EP-0094250-B1 Process for preparing granules containing silicone-based anti-foam UNILEVER PLC (GB) 1986-07-30 EP disclosed
US-4335128-A Process for the treatment of patients suffering from drepanocytosis OMNIUM FINANCIER AQUITAINE POUR L'HYGIENE ET LA SANTE (SANOLI) (FR) 1982-06-15 US disclosed
US-4210649-A Process for the treatment of patients suffering from drepanocytosis Centre d'Etude pour l'Industrie Pharmaceutique (FR) 1980-07-01 US disclosed
US-3932316-A PHOSPHATE-FREE THE PROCTER & GAMBLE COMPANY (US) 1976-01-13 US disclosed