SCHEMBL27641982

SCHEMBL27641982

O=C(OS(=O)(=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]

nearest known ligand 0.43

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 12)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.43
CA2 known ✓ P00918 17/20 0.43
CA1 known ✓ P00915 16/20 0.43
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32

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
SCHEMBL29066797 1.00 THRB (0.43) THRBCA2CA1MMP1MMP2
Potassium Ion SCHEMBL27498497 0.96 THRB (0.43) THRBCA2CA1MMP1MMP2
SCHEMBL27677621 0.80 THRB (0.46) THRBCA2CA1MMP1MMP2
SCHEMBL28064218 0.78 THRB (0.45) THRBCA2CA1MMP1MMP2
SCHEMBL27712919 0.78 THRB (0.45) THRBCA2CA1MMP1MMP2
SCHEMBL27865172 0.78 CA2 (0.38) THRBCA2CA1MMP1MMP2
SCHEMBL22322503 0.77 THRB (0.43) THRBCA2CA1MMP1MMP2
SCHEMBL7174850 0.76 CA1 (0.45) THRBCA2CA1F2PRSS1
SCHEMBL16505929 0.76 THRB (0.42) THRBCA2CA1MMP1MMP2
SCHEMBL28232140 0.74 MEN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101250369-B Aqueous composite paint containing amphiphilic fluorine-containing acrylate blocking copolymer and preparation thereof GUANGZHOU INST OF CHEMISTRY 2010-12-15 CN claimed
CN-101250369-A Aqueous composite paint containing amphiphilic fluorine-containing acrylate blocking copolymer and preparation thereof GUANGZHOU INST OF CHEMISTRY (CN) 2008-08-27 CN claimed
CN-1861648-A Mfg. process and tech. of fluorine carbon emulsion for paint HONGFENG FLUORINE SILICON SCI (CN) 2006-11-15 CN claimed
CN-101250369-B Aqueous composite paint containing amphiphilic fluorine-containing acrylate blocking copolymer and preparation thereof GUANGZHOU INST OF CHEMISTRY 2010-12-15 CN disclosed
CN-101250369-A Aqueous composite paint containing amphiphilic fluorine-containing acrylate blocking copolymer and preparation thereof GUANGZHOU INST OF CHEMISTRY (CN) 2008-08-27 CN disclosed
CN-1861648-A Mfg. process and tech. of fluorine carbon emulsion for paint HONGFENG FLUORINE SILICON SCI (CN) 2006-11-15 CN disclosed