SCHEMBL4895555

SCHEMBL4895555

C=CCc1cccc(S(=O)(=O)[O-])c1CC=C.[Na+]

nearest known ligand 0.40

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
GABRA1 known ✓ P14867 1/20 0.40
GABRB2 known ✓ P47870 1/20 0.40
POLB P06746 1/20 0.38
DUSP5 Q16690 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
AKR1B1 P15121 1/20 0.32
TOP2A P11388 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 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
SCHEMBL28717517 0.97 GABRA1 (0.40) GABRA1GABRB2POLBKDM4EALDH1A1
Potassium Ion SCHEMBL29099219 0.97 GABRA1 (0.40) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL2052960 0.97 GABRA1 (0.40) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL7107160 0.97 GABRA1 (0.40) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL11764994 0.86 POLB (0.40) GABRA1GABRB2POLB
SCHEMBL27061 0.84 POLB (0.41) GABRA1GABRB2POLBDUSP5KDM4E
SCHEMBL17165112 0.84 POLB (0.41) GABRA1GABRB2POLBDUSP5KDM4E
SCHEMBL11143499 0.83 KCNH2 (0.36) GABRA1GABRB2
SCHEMBL878180 0.82 IKBKB (0.33) POLBDUSP5KDM4EALDH1A1MEN1
SCHEMBL87868 0.82 THRA (0.40) KDM4EMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384496-A Building protective coating for multi-solid waste concrete and preparation method thereof 山东众森科技股份有限公司 2024-01-12 CN claimed
CN-116936163-A High-elongation steel-cored aluminum strand and manufacturing process thereof 宁夏瑞银有色金属科技有限公司 2023-10-24 CN claimed
CN-116706057-A Composite positive electrode material and preparation method and application thereof 蜂巢能源科技股份有限公司 2023-09-05 CN claimed
CN-116500227-A Method for testing copper strip stress of lead frame for etching 宁波兴业盛泰集团有限公司 2023-07-28 CN claimed
CN-116234081-A Intelligent heating barrel, heating rod and preparation method 东莞市固豪塑胶五金制品有限公司 2023-06-06 CN claimed
WO-2023035709-A1 SURFACE HYDROPHOBIC MODIFIED MAGNESIUM-BASED FLY ASH POROUS SOUND ABSORBING MATERIAL AND PREPARATION METHOD THEREFOR 山西大学 2023-03-16 WO claimed
CN-115180842-A Low-carbon low-emission solid waste based cementing material and preparation method thereof 涉县清漳水泥制造有限公司 2022-10-14 CN claimed
CN-114711246-A Efficient and stable dichlorvos smoke agent and application thereof 黑龙江森工农化有限公司 2022-07-08 CN claimed
CN-110698364-B Method for synthesizing mono/dialkyl sodium benzenesulfonate 太原理工大学 2022-06-21 CN claimed
CN-114606763-A Electromagnetic shielding film based on carbon nanotube composite waterborne polyurethane 浙江理工大学 2022-06-10 CN claimed
CN-111592887-B Composite heavy metal stabilizing agent composition for heavy metal lead and cadmium polluted acid soil and preparation method thereof 福建龙净环保股份有限公司 2021-08-24 CN claimed
CN-112210067-A Catalyst for single-component polyurethane foam and preparation method thereof 苏州思德新材料科技有限公司 2021-01-12 CN claimed
CN-112191272-A Organosilicon foam catalyst and preparation method thereof 苏州思德新材料科技有限公司 2021-01-08 CN claimed
CN-111592887-A Composite heavy metal stabilizing agent composition for heavy metal lead and cadmium polluted acid soil and preparation method thereof 福建龙净环保股份有限公司 2020-08-28 CN claimed
CN-111088026-A Foaming agent and preparation method and application thereof 中国石油天然气股份有限公司 2020-05-01 CN claimed
CN-110918427-A Automobile forged part rust prevention method 霍山汇能汽车零部件制造有限公司 2020-03-27 CN claimed
JP-2008529776-A 2008-08-07 JP claimed
EP-1848525-A1 NATURAL AND SYNTHETIC SODIUM SULFONATE EMULSIFIER BLENDS Chemtura Corporation (US) 2007-10-31 EP claimed
WO-2006089310-A1 NATURAL AND SYNTHETIC SODIUM SULFONATE EMULSIFIER BLENDS CHEMTURA CORPORATION (US) 2006-08-24 WO claimed
US-20060183649-A1 Natural and synthetic sodium sulfonate emulsifier blends CHEMTURA CORPORATION 2006-08-17 US claimed