SCHEMBL2911531

SCHEMBL2911531

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

nearest known ligand 0.46

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 14)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 4/20 0.46
CA2 known ✓ P00918 1/20 0.42
CTSL P07711 1/20 0.39
EPHX2 P34913 1/20 0.35
FOLH1 Q04609 1/20 0.34
SLC22A16 Q86VW1 1/20 0.32
CASP1 P29466 1/20 0.32
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
CRAT P43155 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30

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
SCHEMBL7789641 1.00 CA4 (0.46) CA4CA2CTSLEPHX2FOLH1
SCHEMBL30338181 0.98 CA4 (0.44) CA4CA2CTSLEPHX2FOLH1
SCHEMBL29354905 0.98 CA4 (0.44) CA4CA2CTSLEPHX2FOLH1
SCHEMBL2916274 0.98 CA4 (0.44) CA4CA2CTSLEPHX2FOLH1
SCHEMBL6236316 0.95 CA4 (0.42) CA4CA2CTSLEPHX2FOLH1
SCHEMBL1335583 0.95 CA4 (0.42) CA4CA2CTSLEPHX2FOLH1
SCHEMBL5688858 0.95 CA4 (0.42) CA4CA2CTSLEPHX2FOLH1
SCHEMBL6925266 0.95 CA4 (0.42) CA4CA2CTSLEPHX2FOLH1
SCHEMBL9119304 0.95 CA4 (0.42) CA4CA2CTSLEPHX2FOLH1
Potassium Ion SCHEMBL8761405 0.95 CA4 (0.42) CA4CA2CTSLEPHX2FOLH1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276728-A1 COMPOSITIONS AND METHODS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC (US) 2019-09-12 US claimed
US-10308860-B2 Compositions and methods for filter cake removal ETHICAL SOLUTIONS LLC (US) 2019-06-04 US claimed
WO-2019070653-A1 METHODS AND COMPOSITIONS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC (US) 2019-04-11 WO claimed
US-20190100687-A1 METHODS AND COMPOSITIONS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC 2019-04-04 US claimed
US-20160362596-A1 COMPOSITIONS AND METHODS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC 2016-12-15 US claimed
US-20140332212-A1 COMPOSITIONS AND METHODS FOR ENHANCED HYDROCARBON RECOVERY VERUTEK TECHNOLOGIES, INC. (US) 2014-11-13 US claimed
WO-2013081609-A1 COMPOSITIONS AND METHODS FOR ENHANCED HYDROCARBON RECOVERY VERUTEK TECHNOLOGIES, INC. (US) 2013-06-06 WO claimed
EP-0267653-B1 DETERGENT COMPOSITION CONTAINING ETHYLENEDIAMINE-N,N' DISUCCINIC ACID THE PROCTER & GAMBLE COMPANY (US) 1992-09-02 EP claimed
US-4704233-A BIODEGRADABLE CHELANT THE PROCTER & GAMBLE COMPANY (US) 1987-11-03 US claimed
US-20190276728-A1 COMPOSITIONS AND METHODS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC (US) 2019-09-12 US disclosed
US-10308860-B2 Compositions and methods for filter cake removal ETHICAL SOLUTIONS LLC (US) 2019-06-04 US disclosed
WO-2019070653-A1 METHODS AND COMPOSITIONS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC (US) 2019-04-11 WO disclosed
US-20190100687-A1 METHODS AND COMPOSITIONS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC 2019-04-04 US disclosed
US-20160362596-A1 COMPOSITIONS AND METHODS FOR FILTER CAKE REMOVAL ETHICAL SOLUTIONS, LLC 2016-12-15 US disclosed
EP-0940148-A1 Water-absorbing agent and its production process and use Nippon Shokubai Co., Ltd. (JP) 1999-09-08 EP disclosed
US-5763634-A Process for the preparation of ferric chelate solutions of alkali metal polyamino succinic acids THE DOW CHEMICAL COMPANY (US) 1998-06-09 US disclosed
US-5717123-A Process for the preparation of ferric chelate solutions of alkali metal polyamino succinic acids THE DOW CHEMICAL COMPANY (US) 1998-02-10 US disclosed
EP-0783034-A2 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-07-09 EP disclosed
WO-1995007968-A1 GRANULAR DETERGENT COMPOSITIONS COMPRISING NONIONIC SURFACTANT AND PROCESS FOR MAKING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-03-23 WO disclosed
EP-0643130-A1 Granular detergent compositions comprising nonionic surfactant and process for making such compositions THE PROCTER & GAMBLE COMPANY (US) 1995-03-15 EP disclosed