SCHEMBL717124

SCHEMBL717124

CCC(CC)(C(=O)[O-])C(=O)O.[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 16)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.33
CA1 known ✓ P00915 2/20 0.33
THRB known ✓ P10828 1/20 0.32
FFAR3 O14843 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
NPSR1 Q6W5P4 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 SCHEMBL107737 0.95 ALDH1A1 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
Lithium Ion SCHEMBL104623 0.95 ALDH1A1 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
Tetramethylammonium Ion SCHEMBL105568 0.90 BBOX1 (0.34) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL105435 0.86 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
Lithium Ion SCHEMBL21268800 0.83 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL717123 0.83 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
Potassium Ion SCHEMBL21269387 0.83 CA4 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
Tetrapropylammonium SCHEMBL103948 0.83 SLC22A1 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL21269015 0.80 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17818654 0.80 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2500775-B1 PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR SHINETSU CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8951711-B2 Patterning process and composition for forming silicon-containing film usable therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-10 US disclosed
US-20140342289-A1 PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-20 US disclosed
US-8852844-B2 Composition for forming silicon-containing film, silicon-containing film-formed substrate and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-07 US disclosed
US-8835102-B2 Patterning process and composition for forming silicon-containing film usable therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-16 US disclosed
EP-2172807-B1 Composition for forming silicon-containing film, silicon-containing film-formed substrate and patterning process SHINETSU CHEMICAL CO (JP) 2014-06-18 EP disclosed
EP-2172808-B1 Metal oxide-containing film-forming composition metal oxide-containing film-formed substrate, and patterning process SHINETSU CHEMICAL CO (JP) 2014-06-04 EP disclosed
US-8652267-B2 Coated-type silicon-containing film stripping process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-8652750-B2 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-18 US disclosed
EP-2196858-B1 Coated-type silicon-containing film stripping process SHINETSU CHEMICAL CO (JP) 2013-12-04 EP disclosed
US-4046787-A ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed
US-4018811-A MICROBIOCIDES, ANTIULCER, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1977-04-19 US disclosed
US-4017534-A BRONCHODILATION, ANTISECRETORY AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-4007210-A PROSTANOIC ACID DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1977-02-08 US disclosed
US-4006179-A HYPOTENSIVE AGENTS, MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1977-02-01 US disclosed
US-3966773-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-06-29 US disclosed
US-3950406-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-04-13 US disclosed
US-3932463-A BRONCHODILATORS, GASTRIC ACID SECRETION INHIBITORS AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed
US-3932479-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed
US-3932472-A INHIBITORS OF GASTRIC ACID SECRETION AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed