SCHEMBL472821

SCHEMBL472821

CCCCCCC(C(=O)[O-])C(CCCCCC)(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.45

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
CA2 known ✓ P00918 2/20 0.45
CA1 known ✓ P00915 2/20 0.42
GPR84 Q9NQS5 6/20 0.39
NFKB1 P19838 2/20 0.36
TP53 P04637 1/20 0.36
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1283043 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7100617 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL9651098 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7095269 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL223462 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL626431 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7100032 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7098224 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL15520 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7207855 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53

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 1283 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4061857-B1 POLYMER DISPERSION MADE FROM (METH)ACRYLATES HAVING LONG SIDE CHAINS EVONIK OPERATIONS GMBH (DE) 2026-05-06 EP claimed
CN-118649658-A Heavy metal ion adsorbent and preparation method and application thereof 陕西广润源环保科技有限公司 2024-09-17 CN claimed
EP-2970742-B1 COMPOSITION AND METHOD FOR REMEDIATION OF NEAR WELLBORE DAMAGE CHEVRON USA INC (US) 2021-11-03 EP claimed
EP-3684848-B1 PROCESS FOR THE MANUFACTURE OF FLAME RETARDANT POLYCARBONATE PARTICLES AND FLAME RETARDANT POLYCARBONATE PARTICLES PREPARED THEREBY SHPP GLOBAL TECH BV (NL) 2021-10-27 EP claimed
US-20190051946-A1 LEAD-ACID BATTERY SEPARATORS, ELECTRODES, BATTERIES, AND METHODS OF MANUFACTURE AND USE THEREOF ENCINA PRIVATE CREDIT SPV 2, LLC, AS COLLATERAL AGENT 2019-02-14 US claimed
US-10116007-B2 Lead-acid battery separators, electrodes, batteries, and methods of manufacture and use thereof DARAMIC, LLC (US) 2018-10-30 US claimed
EP-2931228-B1 ETHANOL-FREE MICROEMULSION PERFUMING COMPOSITIONS. FIRMENICH & CIE (CH) 2018-01-31 EP claimed
EP-3140875-A1 IMPROVED LEAD-ACID BATTERY SEPARATORS, ELECTRODES, BATTERIES, AND METHODS OF MANUFACTURE AND USE THEREOF Daramic, Llc (US) 2017-03-15 EP claimed
US-20160075971-A1 COPPER CLEANING AND PROTECTION FORMULATIONS ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2016-03-17 US claimed
EP-2989231-A1 COPPER CLEANING AND PROTECTION FORMULATIONS Advanced Technology Materials, Inc. (US) 2016-03-02 EP claimed
EP-0426986-A2 Cleaning solution Roche Diagnostics GmbH (DE) 1991-05-15 EP claimed
EP-0192533-B1 ALCALISILICATE COMPOSITIONS AND THEIR USE RHONE-POULENC CHIMIE (FR) 1989-11-08 EP claimed
US-4799549-A PLUGGING SOIL FOR OIL RECOVERY RHONE-POULENC SPECIALITES CHIMIQUE (FR) 1989-01-24 US claimed
EP-0107407-B1 EMULSION EXPLOSIVE COMPOSITION CIL INC (CA) 1988-12-21 EP claimed
US-4670538-A AGITATION AT REDUCED PRESSURE AND TEMPERATURE WITH ADDITION OF SURFACTANT CHLOE CHIMIE (FR) 1987-06-02 US claimed
US-4348954-A A POLYOXYALKYLENE ALKYLPHENYL ETHER NONIONIC SURFACTANT, AND A SODIUM DIALKYL SULFOSUCCINATE ANIONIC SURFACTANT FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 US claimed
US-4268613-A Agent for protecting the surface of lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1981-05-19 US claimed
US-4052331-A SURFACE ACTIVE COMPOSITION RHONE-POULENC S.A. (FR) 1977-10-04 US claimed
US-4026991-A Process for stabilizing lime mud AMERICAN CYANAMID COMPANY (US) 1977-05-31 US claimed
US-3975294-A POLYETHYLENE GLYCOL, MONOETHER; SODIUM DIALKYLSULFOSUCCINATE; OLEIC, LINOLEIC, LINOLENIC OR RICINOLEIC ACID; TRIETHANOLAMINE OR N-HYDROXYETHYLMORPHOLINE RHONE-POULENC S.A. (FR) 1976-08-17 US claimed