SCHEMBL11097342

SCHEMBL11097342

O=S(=O)([O-])c1ccc(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.[Na+]

nearest known ligand 0.38

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 8)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 16/20 0.38
CA2 known ✓ P00918 16/20 0.38
STS P08842 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ELANE P08246 1/20 0.32
HSD11B1 P28845 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
SCHEMBL11094541 0.97 CA1 (0.38) CA1CA2STSPOLBMAPT
SCHEMBL11095762 0.97 CA1 (0.38) CA1CA2STSPOLBMAPT
Potassium Ion SCHEMBL11091644 0.97 CA1 (0.38) CA1CA2STSPOLBMAPT
SCHEMBL11123042 0.89 PKM (0.46) CA1CA2STSPOLBMAPT
SCHEMBL29971333 0.87 CA1 (0.39) CA1CA2STSPOLBMAPT
SCHEMBL29048865 0.87 CA1 (0.39) CA1CA2STSPOLBMAPT
SCHEMBL28357377 0.86 CA1 (0.38) CA1CA2STSPOLBMAPT
SCHEMBL11000667 0.81 KMT2A (0.34) CA1CA2STS
SCHEMBL11093747 0.81 CA2 (0.41) CA1CA2STS
SCHEMBL10477026 0.79 ESR1 (0.33) CA1CA2STSELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114834108-B Composite non-woven fabric and preparation method thereof 东莞市科迪实业有限公司 2024-03-29 CN claimed
CN-114834108-B Composite non-woven fabric and preparation method thereof 东莞市科迪实业有限公司 2024-03-29 CN disclosed
CN-114834108-B Composite non-woven fabric and preparation method thereof 东莞市科迪实业有限公司 2024-03-29 CN disclosed
CN-114834108-A Composite non-woven fabric and preparation method thereof 东莞市科迪实业有限公司 2022-08-02 CN disclosed
CN-109627378-B Hydrophobic association complex and preparation method thereof, clean diverting acid for heterogeneous carbonate reservoir acid fracturing and preparation method thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed
CN-109627378-B Hydrophobic association complex and preparation method thereof, clean diverting acid for heterogeneous carbonate reservoir acid fracturing and preparation method thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed
CN-103589410-A Chemical additive for temporary plugging and energy increasing of thickened oil steam huff-puff well and preparation method and application thereof PETROCHINA CO LTD 2014-02-19 CN disclosed
US-4438001-A ANTISTATIC AGENTS TAKEMOTOYUSHI CO. LTD. (JP) 1984-03-20 US disclosed