SCHEMBL17835787

SCHEMBL17835787

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

nearest known ligand 0.41

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
CA2 known ✓ P00918 8/20 0.41
CA1 known ✓ P00915 7/20 0.41
THRB known ✓ P10828 1/20 0.37
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33

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
Potassium Ion SCHEMBL17835788 0.96 CA2 (0.41) CA2CA1MMP1MMP2MMP9
Sulfuric Acid SCHEMBL19739058 0.74 CA2 (0.55) CA2CA1MMP1MMP2MMP9
Perflubutane SCHEMBL19739067 0.71 CA2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL3366661 0.70 THRB (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL19811134 0.70 CA2 (0.58) CA2CA1MMP1MMP2MMP9
SCHEMBL4871654 0.70 THRB (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL2368073 0.70 THRB (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL814004 0.70 CA2 (0.58) CA2CA1MMP1MMP2MMP9
SCHEMBL866860 0.70 CA2 (0.58) CA2CA1MMP1MMP2MMP9
SCHEMBL151831 0.70 THRB (0.56) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3034532-B1 POLYORGANOSILOXANE-CONTAINING GRAFT COPOLYMER, RESIN COMPOSITION, MOLDED ARTICLE, SLIDING-PROPERTIES IMPROVEMENT AGENT, AND SLIDING MEMBER MITSUBISHI CHEM CORP (JP) 2019-11-06 EP disclosed
EP-3375800-A1 POLYORGANOSILOXANE-CONTAINING GRAFT COPOLYMER, RESIN COMPOSITION, MOLDED ARTICLE, SLIDING-PROPERTIES IMPROVEMENT AGENT, AND SLIDING MEMBER Mitsubishi Chemical Corporation (JP) 2018-09-19 EP disclosed
US-9765170-B2 Graft copolymer containing polyorganosiloxane, resin composition, molded article, slidability-improving agent, and sliding member MITSUBISHI CHEMICAL CORPORATION (JP) 2017-09-19 US disclosed
US-20160194428-A1 GRAFT COPOLYMER CONTAINING POLYORGANOSILOXANE, RESIN COMPOSITION, MOLDED ARTICLE, SLIDABILITY-IMPROVING AGENT, AND SLIDING MEMBER MITSUBISHI RAYON CO., LTD. (JP) 2016-07-07 US disclosed
EP-3034532-A2 POLYORGANOSILOXANE-CONTAINING GRAFT COPOLYMER, RESIN COMPOSITION, MOLDED ARTICLE, SLIDING-PROPERTIES IMPROVEMENT AGENT, AND SLIDING MEMBER Mitsubishi Rayon Co., Ltd. (JP) 2016-06-22 EP disclosed