SCHEMBL21862

SCHEMBL21862

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

nearest known ligand 0.48

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 13)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 4/20 0.48
CA2 known ✓ P00918 1/20 0.44
CA1 known ✓ P00915 1/20 0.31
CTSL P07711 1/20 0.41
CASP1 P29466 1/20 0.33
SLC22A16 Q86VW1 1/20 0.33
CRAT P43155 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL9982694 0.87 CA4 (0.38) CA4CA2CTSL
SCHEMBL381960 0.76 CA4 (0.44) CA4CA2CTSLCASP1SLC22A16
SCHEMBL7132158 0.73 CA2 (0.48) CA4CA2CTSLSLC22A16CRAT
SCHEMBL6239313 0.73 CA4 (0.41) CA4CA2CTSL
SCHEMBL6239306 0.73 CA2 (0.48) CA4CA2CTSLSLC22A16CRAT
SCHEMBL3369325 0.72 CA4 (0.40) CA4CA2CTSLCPT2CPT1A
Lithium Ion SCHEMBL31678991 0.71 CA4 (0.41) CA4CA2CTSLSLC22A16
SCHEMBL31461182 0.70 CA4 (0.39) CA4CA2CTSL
SCHEMBL8078225 0.67 CA4 (0.57) CA4CA2CTSLCASP1SLC22A16
Tricarballylic Acid SCHEMBL4898296 0.67 CA4 (0.57) CA4CA2CTSLCASP1SLC22A16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065962-A1 COSMETIC PREPARATION SHISEIDO COMPANY, LTD. (JP) 2024-02-29 US claimed
EP-4292582-A1 COSMETIC PREPARATION Shiseido Company, Ltd. (JP) 2023-12-20 EP claimed
WO-2022172790-A1 COSMETIC PREPARATION 株式会社 資生堂 2022-08-18 WO claimed
US-8877699-B2 Dishwasher detergent comprising a liquid non-ionic surfactant and at least two solid non-ionic surfactants RECKITT & COLMAN (OVERSEAS) LIMITED (GB) 2014-11-04 US claimed
US-8809247-B2 Cleaning composition and method for cleaning substrate for electronic device LION CORPORATION (JP) 2014-08-19 US claimed
EP-2449072-B1 COMPOSITIONS RECKITT BENCKISER NV (NL) 2013-05-01 EP claimed
US-20120125374-A1 Compositions RECKITT BENCKISER N.V. (NL) 2012-05-24 US claimed
EP-2449072-A1 COMPOSITIONS Reckitt Benckiser N.V. (NL) 2012-05-09 EP claimed
WO-2011001170-A1 COMPOSITIONS RECKITT BENCKISER N.V. (NL) 2011-01-06 WO claimed
JP-9110813-A None JP disclosed
JP-9100497-A None JP disclosed
CN-121108772-A Anti-sedimentation stabilizer, preparation method thereof, dye and pesticide 浙江材华科技有限公司 2025-12-12 CN disclosed
EP-4150037-B1 SOLID COMPOSITION RECKITT BENCKISER FINISH BV (NL) 2025-11-26 EP disclosed
CN-111929998-B Toner and method for producing toner 佳能株式会社 2024-12-03 CN disclosed
EP-1621605-A1 BLEACH COMPOSITION AND BLEACHING DETERGENT COMPOSITION Ciba Specialty Chemicals Holding Inc. (CH) 2006-02-01 EP disclosed
EP-1299512-B1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2003-11-12 EP disclosed
EP-1299512-A1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2003-04-09 EP disclosed
WO-2001088077-A1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2001-11-22 WO disclosed
JP-H09110813-A POWDER AND ITS PRODUCTION, AND GRANULAR DETERGENT COMPOSITION CONTAINING THE POWDER NIPPON SHOKUBAI CO LTD 1997-04-28 JP disclosed
JP-H09100497-A PRODUCTION OF HIGH-BULK DENSITY DETERGENT COMPOSITION LION CORP 1997-04-15 JP disclosed