SCHEMBL7115121

SCHEMBL7115121

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

nearest known ligand 0.36

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 6)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.33
CA2 known ✓ P00918 1/20 0.30
MEN1 O00255 1/20 0.31
LDHA P00338 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL4903344 1.00 CA4 (0.33) CA4MEN1LDHABLMKMT2A
SCHEMBL7115117 0.83 CA4 (0.33) CA4MEN1LDHABLMKMT2A
SCHEMBL726009 0.83 CA4 (0.33) CA4MEN1LDHABLMKMT2A
SCHEMBL4903342 0.83 CA4 (0.33) CA4MEN1LDHABLMKMT2A
SCHEMBL740787 0.82 CA4 (0.46) CA4MEN1KMT2ACA2
Methylamine SCHEMBL9540584 0.81 CA2 (0.43) CA4CA2
SCHEMBL29913440 0.80 SLC22A6 (0.35) CA4CA2
Potassium Ion SCHEMBL17255813 0.78 MEN1 (0.31) CA4MEN1LDHABLMKMT2A
Monoethanolamine SCHEMBL4758121 0.78 FAAH (0.39) MEN1KMT2ACA2
Potassium Ion SCHEMBL7154954 0.77 CA4 (0.42) CA4CA2

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-111468307-A Scheelite flotation collector 河南天鸿选矿科技有限公司 2020-07-31 CN claimed
CN-111375494-A Low-grade fine tin ore biological collector and preparation method and application thereof 广西民族大学 2020-07-07 CN disclosed
EP-1362880-A2 OILCLOTH AND LAMP BLACK CID Centro de Investigacion y Desarrollo, Tecnologico S.A. de C.V. (MX) 2003-11-19 EP disclosed
US-6646028-B2 Rubber and carbon black CID CENTRO DE INVESTIGACION Y DESARROLLO TECNOLOGICO, S.A. DE C.V. (MX) 2003-11-11 US disclosed
US-20020111413-A1 Rubber and Carbon Black CID CENTRO DE INVESTIGACION Y DESARROLLO TECNOLOGICO, S.A. DE C.V. (MX) 2002-08-15 US disclosed
US-4482454-A AMINO ACID AMPHOTERIC COLLECTOR FOR FLOTATION CECA S.A. (FR) 1984-11-13 US disclosed