SCHEMBL28437699

SCHEMBL28437699

CCCCCCCCCc1ccc(OC(CC)S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.49

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 3/20 0.48
THRB known ✓ P10828 2/20 0.44
THRA known ✓ P10827 1/20 0.44
ADORA3 known ✓ P0DMS8 2/20 0.41
PTGS1 known ✓ P23219 1/20 0.41
ADORA2A known ✓ P29274 1/20 0.41
PTGS2 known ✓ P35354 1/20 0.41
CA12 known ✓ O43570 1/20 0.40
CA1 known ✓ P00915 1/20 0.40
FUT7 Q11130 1/20 0.49
PPARA Q07869 1/20 0.46
S1PR1 P21453 3/20 0.42
S1PR2 O95136 2/20 0.42
S1PR3 Q99500 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL9393644 0.90 FUT7 (0.48) FUT7CA2PPARATHRBTHRA
SCHEMBL11794637 0.84 PPARA (0.50) CA2PPARATHRBTHRAS1PR1
SCHEMBL11234521 0.84 PPARA (0.53) FUT7PPARAFDFT1
SCHEMBL9452161 0.82 FUT7 (0.51) FUT7CA2PPARATHRBTHRA
SCHEMBL5617338 0.80 FUT7 (0.46) FUT7CA2PPARATHRBTHRA
SCHEMBL5147946 0.78 FUT7 (0.44) FUT7CA2PPARATHRBTHRA
SCHEMBL5320216 0.78 FUT7 (0.72) FUT7CA2THRBTHRASMN1; SMN2
SCHEMBL5322295 0.78 FUT7 (0.72) FUT7CA2THRBTHRASMN1; SMN2
SCHEMBL6910582 0.78 FUT7 (0.72) FUT7CA2THRBTHRASMN1; SMN2
SCHEMBL8070739 0.78 S1PR1 (0.51) CA2PPARATHRBTHRAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115895040-A Modified layered nano material and application thereof in preparation of PPR (polypropylene random copolymer) material 联塑科技发展(贵阳)有限公司 2023-04-04 CN claimed
CN-113025251-B Antistatic UV solvent-free optical adhesive, preparation method thereof and touch display screen 广州鹿山先进材料有限公司 2022-10-18 CN claimed
CN-113025251-A Antistatic UV solvent-free optical adhesive, preparation method thereof and touch display screen 广州鹿山光电材料有限公司 2021-06-25 CN claimed
CN-118880546-A Nanofiber-reinforced polyester fiber net material suitable for supporting soft rock roadway of coal mine and preparation method thereof 中煤科工开采研究院有限公司 2024-11-01 CN disclosed
CN-118065053-A Feather and fiber mixed filling pad and production process thereof 顾家家居股份有限公司 2024-05-24 CN disclosed
CN-115895040-A Modified layered nano material and application thereof in preparation of PPR (polypropylene random copolymer) material 联塑科技发展(贵阳)有限公司 2023-04-04 CN disclosed
CN-115895090-A Preparation method of conductive polymer composite material with low percolation threshold 东南大学 2023-04-04 CN disclosed
CN-115216969-A Water-based sizing agent and preparation method and application thereof 西华大学 2022-10-21 CN disclosed
CN-113025251-B Antistatic UV solvent-free optical adhesive, preparation method thereof and touch display screen 广州鹿山先进材料有限公司 2022-10-18 CN disclosed
CN-114919147-A Preparation process of thin shading reflection sheet for backlight module 四川龙华光电薄膜股份有限公司 2022-08-19 CN disclosed
CN-114859604-A Shading reflection film, backlight module and preparation method thereof 四川龙华光电薄膜股份有限公司 2022-08-05 CN disclosed
CN-113024929-B Preparation method of conductive polymer composite material 东南大学 2022-06-17 CN disclosed
CN-111793226-B Antistatic super absorbent resin and preparation method and application thereof 山东诺尔生物科技有限公司 2022-05-06 CN disclosed
CN-112961477-B Hydrophobic material for insulin syringe and processing and forming method thereof 普昂(杭州)医疗科技股份有限公司 2021-12-28 CN disclosed
CN-113024929-A Preparation method of conductive polymer composite material 东南大学 2021-06-25 CN disclosed
CN-113025251-A Antistatic UV solvent-free optical adhesive, preparation method thereof and touch display screen 广州鹿山光电材料有限公司 2021-06-25 CN disclosed
CN-112961477-A Hydrophobic material for insulin syringe and processing and forming method thereof 普昂(杭州)医疗科技股份有限公司 2021-06-15 CN disclosed
CN-111793226-A Antistatic super absorbent resin and preparation method and application thereof 山东诺尔生物科技有限公司 2020-10-20 CN disclosed
CN-111472168-A Shoes with iodine wine resisting function 泉州宇途科技有限公司 2020-07-31 CN disclosed