SCHEMBL4324906

SCHEMBL4324906

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

nearest known ligand 0.48

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 14)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.48
CA1 known ✓ P00915 3/20 0.37
CA2 known ✓ P00918 1/20 0.33
FFAR3 O14843 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
CASP1 P29466 1/20 0.33
BBOX1 O75936 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL10896262 0.95 CA4 (0.42) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL7316948 0.84 CA4 (0.57) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL4777919 0.84 FFAR3 (0.41) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL7157352 0.80 CES2 (0.42) CA1CA2
Lithium Ion SCHEMBL18321792 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL4957927 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL2349658 0.78 CA4 (0.37) CA4FFAR3HDAC3HDAC1HDAC2
Silver SCHEMBL17797184 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL6818429 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL15022121 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710190-A Soy protein-based thermoplastic composition for foamed articles IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1998-01-20 US claimed
US-12325799-B1 Compositions containing lignocellulosic biomass residues, polymer composites made therefrom, and methods of making lignocellulosic biomass residues and polymer composites containing them PLANTOON TECHNOLOGIES KFT. (HU) 2025-06-10 US disclosed
US-12018156-B1 Compositions containing lignocellulosic biomass residues, polymer composites made therefrom, and methods of making lignocellulosic biomass residues and polymer composites containing them PLANTOON TECHNOLOGIES KFT. (HU) 2024-06-25 US disclosed
US-12012514-B1 Compositions containing lignocellulosic biomass residues, polymer composites made therefrom, and methods of making lignocellulosic biomass residues and polymer composites containing them PLANTOON TECHNOLOGIES KFT. (HU) 2024-06-18 US disclosed
CN-108863236-B Preparation method of stirring-free ultralight ceramsite concrete cutting board and stirring-free ultralight ceramsite concrete cutting board 广州大学 2021-05-11 CN disclosed
US-9587098-B2 Multifunctional biocomposite additive compositions and methods GS CLEANTECH CORPORATION (US) 2017-03-07 US disclosed
US-9587099-B2 Multifunctional biocomposite additive compositions and methods GS CLEANTECH CORPORATION (US) 2017-03-07 US disclosed
US-20160264766-A1 MULTIFUNCTIONAL BIOCOMPOSITE ADDITIVE COMPOSITIONS AND METHODS PLAIN SIGHT INNOVATIONS LLC 2016-09-15 US disclosed
US-20160264763-A1 MULTIFUNCTIONAL BIOCOMPOSITE ADDITIVE COMPOSITIONS AND METHODS PLAIN SIGHT INNOVATIONS LLC 2016-09-15 US disclosed
US-9346955-B2 Multifunctional biocomposite additive compositions and methods GS CLEANTECH CORPORATION (US) 2016-05-24 US disclosed
WO-2006065851-A1 BIOPOLYMER INCLUDING PROLAMIN AND METHODS OF MAKING IT AGRI-POLYMERIX, LLC (US) 2006-06-22 WO disclosed
WO-2006066041-A1 BIOPOLYMER AND METHODS OF MAKING IT AGRI-POLYMERIX, LLC (US) 2006-06-22 WO disclosed
EP-1639040-A1 BIOPOLYMER STRUCTURES AND COMPONENTS Agri-Polymerix, LLC (US) 2006-03-29 EP disclosed
US-20050101700-A1 A fermentation solid from a grain, root, or tuber extruded and compounded with a thermoplastic resin, a thermosetting resin, or adhesive polymer, and can also be foamed AGRI-POLYMERIX, LLC (US) 2005-05-12 US disclosed
WO-2004113435-A1 BIOPOLYMER STRUCTURES AND COMPONENTS AGRI-POLYMERIX, LLC (US) 2004-12-29 WO disclosed
US-6806353-B2 WATER RESISTANT, STRENGTH IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2004-10-19 US disclosed
US-6632925-B1 Soybean protein and polylactic acid; nontoxic IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2003-10-14 US disclosed
US-20030078323-A1 Biodegradable plant protein composites and related methods IOWA STATES UNIVERSITY RESEARCH FOUNDATION, INC. 2003-04-24 US disclosed
US-5710190-A Soy protein-based thermoplastic composition for foamed articles IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1998-01-20 US disclosed
US-5523293-A FROM CLEAVAGE OF DISULFIDE BONDS IN SOY PROTEIN; CONSUMABLE PRODUCTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-06-04 US disclosed