SCHEMBL8416643

SCHEMBL8416643

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

nearest known ligand 0.34

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
CA2 known ✓ P00918 1/20 0.34
CA1 known ✓ P00915 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
SCHEMBL9601984 0.83
SCHEMBL3658805 0.81 CA4 (0.32)
SCHEMBL11744409 0.81 CA1 (0.35) CA2CA1
SCHEMBL6261811 0.79 FFAR3 (0.32) CA1
Silver SCHEMBL7532091 0.76 CA2 (0.44) CA2CA1
SCHEMBL10430528 0.75 CES2 (0.37) CA1
SCHEMBL1984429 0.75 CES2 (0.37) CA1
SCHEMBL486057 0.75 CES2 (0.37) CA1
SCHEMBL788087 0.75 CES2 (0.37) CA1
SCHEMBL6848142 0.75 CES2 (0.37) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4381547-A1 NEGATIVE ELECTRODE SLURRY COMPOSITIONS FOR LITHIUM ION ELECTRICAL STORAGE DEVICES PPG Industries Ohio Inc. (US) 2024-06-12 EP disclosed
US-20240132747-A1 COATED SUBSTRATE PPG INDUSTRIES OHIO, INC. (US) 2024-04-25 US disclosed
US-20240101860-A1 COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2024-03-28 US disclosed
EP-4081574-B1 A COATING COMPOSITION PPG IND OHIO INC (US) 2024-01-31 EP disclosed
EP-4284879-A1 COATING COMPOSITION PPG Industries Ohio, Inc. (US) 2023-12-06 EP disclosed
EP-4284884-A1 COATED SUBSTRATE PPG Industries Ohio Inc. (US) 2023-12-06 EP disclosed
US-11787968-B2 Coating composition PPG INDUSTRIES OHIO, INC. (US) 2023-10-17 US disclosed
US-20230167329-A1 PHENOLIC RESIN AND COATING COMPOSITIONS USING THE SAME PPG INDUSTRIES OHIO, INC. (US) 2023-06-01 US disclosed
US-20230117877-A1 A CROSSLINKING MATERIAL AND USES THEREOF PPG INDUSTRIES OHIO, INC. (US) 2023-04-20 US disclosed
US-20230114335-A1 A CROSSLINKING MATERIAL AND USES THEREOF PPG INDUSTRIES OHIO, INC. (US) 2023-04-13 US disclosed
US-20140323640-A1 COATING COMPOSITION FOR A FOOD OR BEVERAGE CAN PPG INDUSTRIES OHIO, INC. 2014-10-30 US disclosed
EP-2785604-A1 COATING COMPOSITION FOR A FOOD OR BEVERAGE CAN PPG Industries Ohio Inc. (US) 2014-10-08 EP disclosed
EP-2785807-A1 COATING COMPOSITION FOR A FOOD OR BEVERAGE CAN PPG Industries Ohio Inc. (US) 2014-10-08 EP disclosed
WO-2013079718-A1 COATING COMPOSITION FOR A FOOD OR BEVERAGE CAN PPG INDUSTRIES OHIO, INC. (US) 2013-06-06 WO disclosed
WO-2013079719-A1 COATING COMPOSITION FOR A FOOD OR BEVERAGE CAN PPG INDUSTRIES OHIO, INC. (US) 2013-06-06 WO disclosed
EP-2599844-A1 Coating composition for a food or beverage can PPG Industries Ohio Inc. (US) 2013-06-05 EP disclosed
US-5858604-A PREPARED FROM DIGITAL IMAGE SIGNALS WITH USE OF PRESENSITIZED LITHOGRAPHIC PLATE KONICA CORPORATION (JP) 1999-01-12 US disclosed
EP-0720057-A1 ORIGINAL FORM FOR LITHOGRAPHIC PLATE AND PROCESS FOR PREPARING LITHOGRAPHIC PLATE KONICA CORPORATION (JP) 1996-07-03 EP disclosed
US-4264678-A COMPRISING A BUTADIENE-STYRENE COPOLYMER IN A BUTYL METHACRYLATE-METHYL ACRYLATE SHELL AS A BINDER FOR SCREEN PRINTING GAF CORPORATION (US) 1981-04-28 US disclosed
US-4056587-A Process for expanding W. R. GRACE & CO. (US) 1977-11-01 US disclosed