SCHEMBL4665221

SCHEMBL4665221

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

nearest known ligand 0.31

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 1)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 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
SCHEMBL29757397 0.87 CA2 (0.31) CA2
Potassium Ion SCHEMBL11581377 0.81 CYP3A4 (0.31)
SCHEMBL2992792 0.80 CYP3A4 (0.30)
SCHEMBL9838460 0.80 CA2 (0.41) CA2
SCHEMBL7102067 0.78 CYP3A4 (0.33) CA2
SCHEMBL7102088 0.78 CA1 (0.47) CA2
SCHEMBL796340 0.76 RNPEP (0.35)
Potassium Ion SCHEMBL7100337 0.75 CYP3A4 (0.31)
Potassium Ion SCHEMBL7095225 0.75 CA1 (0.45) CA2
SCHEMBL7100292 0.73 CYP3A4 (0.46) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051195-A1 Surfactant Compositions CYTEC INDUSTRIES INC. (US) 2017-02-23 US claimed
EP-1673417-B1 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS KEMIRA OYJ (FI) 2016-02-24 EP claimed
US-7381332-B2 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2008-06-03 US claimed
EP-1673417-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS Cytec Technology Corp. (US) 2006-06-28 EP claimed
WO-2005035934-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS CYTEC TECHNOLOGY CORP. (US) 2005-04-21 WO claimed
US-20050067194-A1 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2005-03-31 US claimed
EP-3428322-B1 NICKEL ELECTROPLATING COMPOSITIONS WITH COPOLYMERS OF ARGININE AND BISEPOXIDES AND METHODS OF ELECTROPLATING NICKEL ROHM & HAAS ELECT MAT (US) 2019-08-21 EP disclosed
US-20170051195-A1 Surfactant Compositions CYTEC INDUSTRIES INC. (US) 2017-02-23 US disclosed
EP-1673417-B1 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS KEMIRA OYJ (FI) 2016-02-24 EP disclosed
US-7381332-B2 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2008-06-03 US disclosed
US-20070042183-A1 Carrier for aqueous media MEMBRANA GMBH (DE) 2007-02-22 US disclosed
EP-1673417-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS Cytec Technology Corp. (US) 2006-06-28 EP disclosed
WO-2005035934-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS CYTEC TECHNOLOGY CORP. (US) 2005-04-21 WO disclosed
US-20050067194-A1 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2005-03-31 US disclosed
US-6165962-A Aqueous microemulsions E. I. DU PONT DE NEMOURS AND COMAPNY (US) 2000-12-26 US disclosed