SCHEMBL4778627

SCHEMBL4778627

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

nearest known ligand 0.41

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 19)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.41
CA1 known ✓ P00915 2/20 0.39
GPR84 Q9NQS5 4/20 0.35
NFKB1 P19838 1/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
TP53 P04637 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
FFAR1 O14842 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FAAH O00519 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3663844 1.00 CA2 (0.41) CA2CA1GPR84NFKB1HSPD1
Potassium Ion SCHEMBL3662557 0.97 CA2 (0.38) CA2CA1GPR84NFKB1HSPD1
SCHEMBL3658395 0.95 CA2 (0.37) CA2CA1NFKB1TSHR
SCHEMBL1283043 0.84 CA2 (0.45) CA2CA1GPR84NFKB1HSPD1
SCHEMBL7098224 0.84 CA2 (0.45) CA2CA1GPR84NFKB1HSPD1
SCHEMBL11420157 0.84 CA2 (0.45) CA2CA1GPR84NFKB1HSPD1
SCHEMBL626431 0.84 CA2 (0.45) CA2CA1GPR84NFKB1HSPD1
SCHEMBL7095269 0.84 CA2 (0.45) CA2CA1GPR84NFKB1HSPD1
SCHEMBL223462 0.84 CA2 (0.45) CA2CA1GPR84NFKB1HSPD1
SCHEMBL15520 0.84 CA2 (0.45) CA2CA1GPR84NFKB1HSPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363819-B1 METHOD FOR PREPARING DIENE-BASED RUBBER LATEX, METHOD FOR PREPARING ABS-BASED GRAFT COPOLYMER COMPRISING SAME, AND METHOD FOR MANUFACTURING ABS-BASED INJECTION MOLDED PRODUCT LG CHEMICAL LTD (KR) 2023-01-11 EP claimed
CN-114341304-A Binder composition for secondary battery 广东省皓智科技有限公司 2022-04-12 CN claimed
CN-114342124-A Binder composition for secondary battery 广东省皓智科技有限公司 2022-04-12 CN claimed
CN-107306496-B Rubbery polymer, process for producing the same, graft copolymer, and thermoplastic resin composition 株式会社LG化学 2020-02-21 CN claimed
EP-3214128-B1 FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITION HAVING EXCELLENT THERMAL STABILITY, PREPARATION METHOD THEREFOR, AND MOLDED PRODUCT PREPARED THEREFROM LG CHEMICAL LTD (KR) 2019-04-17 EP claimed
EP-1285035-B1 AQUEOUS CROSS-LINKABLE BINDER COMPOSITION AND COATING, LACQUER OR SEALING COMPOSITION COMPRISING SUCH A BINDER COMPOSITION AKZO NOBEL COATINGS INT BV (NL) 2007-07-11 EP claimed
CN-118016891-A Binder composition for secondary battery 广东省皓智科技有限公司 2024-05-10 CN disclosed
CN-114342124-B Binder composition for secondary battery 广东省皓智科技有限公司 2024-04-09 CN disclosed
CN-114133497-B Aqueous polymer emulsion and preparation method and application thereof 万华化学集团股份有限公司 2024-04-09 CN disclosed
CN-117355547-A Hollow plastic spheres with controlled particle size 盛禧奥欧洲有限责任公司 2024-01-05 CN disclosed
CN-114341304-B Binder composition for secondary battery 广东省皓智科技有限公司 2023-10-31 CN disclosed
CN-113166521-B Thermoplastic resin composition comprising (meth) acrylate graft copolymer and method for preparing thermoplastic resin composition 株式会社LG化学 2023-08-01 CN disclosed
CN-114342124-A Binder composition for secondary battery 广东省皓智科技有限公司 2022-04-12 CN disclosed
US-7462660-B2 Copolymers containing styrene oxide and use thereof as emulsifiers and dispersing agents LARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-12-09 US disclosed
US-20060058429-A1 Copolymers containing stryene oxide and use thereof as emulsifiers and dispersing agents CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-03-16 US disclosed
EP-1531933-B1 COPOLYMERS MADE OF ALKYLENE OXIDES AND GLYCIDYL ETHERS AND USE THEREOF AS POLYMERISABLE EMULSIFIERS CLARIANT GMBH (DE) 2005-11-16 EP disclosed
EP-1576029-A1 COPOLYMERS CONTAINING STYRENE OXIDE AND USE THEREOF AS EMULSIFIERS AND DISPERSING AGENTS Clariant GmbH (DE) 2005-09-21 EP disclosed
EP-1531933-A1 COPOLYMERS MADE OF ALKYLENE OXIDES AND GLYCIDYL ETHERS AND USE THEREOF AS POLYMERISABLE EMULSIFIERS Clariant GmbH (DE) 2005-05-25 EP disclosed
WO-2004044035-A1 COPOLYMERS CONTAINING STYRENE OXIDE AND USE THEREOF AS EMULSIFIERS AND DISPERSING AGENTS CLARIANT GMBH (DE) 2004-05-27 WO disclosed
WO-2004026468-A1 COPOLYMERS MADE OF ALKYLENE OXIDES AND GLYCIDYL ETHERS AND USE THEREOF AS POLYMERISABLE EMULSIFIERS CLARIANT GMBH (DE) 2004-04-01 WO disclosed