SCHEMBL28036281

SCHEMBL28036281

CCCCCCCCCc1ccccc1O.O=C([O-])CC(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
PPARG known ✓ P37231 1/20 0.45
CYSLTR1 known ✓ Q9Y271 2/20 0.39
ALOX5 known ✓ P09917 1/20 0.38
BID P55957 4/20 0.45
MCL1 Q07820 4/20 0.45
KAT8 Q9H7Z6 3/20 0.45
BCL2L1 Q07817 3/20 0.45
BAK1 Q16611 3/20 0.45
SAE1 Q9UBE0 2/20 0.45
EP300 Q09472 2/20 0.45
KAT5 Q92993 2/20 0.45
PPARA Q07869 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
MGLL Q99685 1/20 0.44
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
MMP2 P08253 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL30753415 1.00 BID (0.45) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL4371015 0.84 HDAC3 (0.46) MAPTMEN1KMT2A
SCHEMBL30753414 0.81 BID (0.50) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL8762736 0.81 BID (0.50) BIDMCL1KAT8BCL2L1BAK1
Hexadecane SCHEMBL9858216 0.81 CA2 (0.46)
Octane SCHEMBL28131914 0.81 CA2 (0.46)
Dodecane SCHEMBL27642194 0.81 CA2 (0.46)
Tridecane SCHEMBL27760718 0.81 CA2 (0.46)
Sulfuric Acid SCHEMBL28013138 0.80 MGLL (0.55) BIDMCL1KAT8BCL2L1BAK1
Acetic Acid SCHEMBL14152760 0.79 BID (0.59) BIDMCL1KAT8BCL2L1BAK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751491-B Real stone paint emulsion and preparation method and application thereof 亚士创能科技(上海)股份有限公司 2024-11-26 CN claimed
CN-116751491-A Real stone paint emulsion and preparation method and application thereof 亚士创能科技(上海)股份有限公司 2023-09-15 CN claimed
CN-109320283-B Fly ash autoclaved aerated concrete block 襄阳华壁新型建材有限公司 2021-09-17 CN claimed
CN-109265123-B Fly ash autoclaved aerated concrete block and production method thereof 襄阳华壁新型建材有限公司 2021-03-30 CN claimed
CN-110028616-B High-elasticity acrylate adhesive for glue-sprayed cotton and preparation method thereof 广东银洋环保新材料有限公司 2021-03-02 CN claimed
CN-120081653-A Wear-resistant material for classifier target area and construction process 无锡市宜刚耐火材料有限公司 2025-06-03 CN disclosed
CN-116751491-B Real stone paint emulsion and preparation method and application thereof 亚士创能科技(上海)股份有限公司 2024-11-26 CN disclosed
CN-116751491-A Real stone paint emulsion and preparation method and application thereof 亚士创能科技(上海)股份有限公司 2023-09-15 CN disclosed
CN-110168001-B Environmentally curable coating composition for cables and cable fittings 通用线缆技术公司 2022-05-24 CN disclosed
CN-114478973-A Aqueous polyurethane resin and preparation method thereof 南亚塑胶工业股份有限公司 2022-05-13 CN disclosed
CN-106893041-B Method for preparing solvent-free aqueous polyurethane dispersion 南亚塑胶工业股份有限公司 2022-04-12 CN disclosed
CN-112250784-B Emulsion for latex mattress and preparation method thereof 泰州东方特种化工有限公司 2022-04-05 CN disclosed
CN-109320283-B Fly ash autoclaved aerated concrete block 襄阳华壁新型建材有限公司 2021-09-17 CN disclosed
CN-109265123-B Fly ash autoclaved aerated concrete block and production method thereof 襄阳华壁新型建材有限公司 2021-03-30 CN disclosed
CN-110028616-B High-elasticity acrylate adhesive for glue-sprayed cotton and preparation method thereof 广东银洋环保新材料有限公司 2021-03-02 CN disclosed
CN-111808238-A Preparation method of aqueous polyurethane dispersion liquid 南亚塑胶工业股份有限公司 2020-10-23 CN disclosed
CN-108475010-A Graininess photoinitiator and application thereof 耶路撒冷希伯来大学伊森姆研究发展有限公司 2018-08-31 CN disclosed
CN-105027690-A Three-dimensional conductive pattern and ink for producing three-dimensional conductive pattern YISSUM RES DEV CO 2015-11-04 CN disclosed