SCHEMBL5693585

SCHEMBL5693585

C[C@H](NC(C(=O)O)C(=O)O)C(=O)[O-].C[C@H](NC(C(=O)O)C(=O)O)C(=O)[O-].C[C@H](NC(C(=O)O)C(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.43

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 10)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.33
CA1 known ✓ P00915 3/20 0.32
TP53 P04637 1/20 0.35
ALDH1A1 P00352 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
PLA2G2A P14555 2/20 0.30
PLA2G5 P39877 2/20 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
SCHEMBL20512334 1.00 TP53 (0.35) TP53CA2CA1ALDH1A1CYP3A4
SCHEMBL29492088 0.87 CA2 (0.35) TP53CA2CA1CYP3A4TSHR
L-Lactic Acid SCHEMBL29263191 0.84 TP53 (0.42) TP53CA2
SCHEMBL902801 0.84 CA2 (0.39) CA2CA1CYP3A4TSHRNFKB1
Potassium Ion SCHEMBL29492059 0.82 CA4 (0.32) TP53
SCHEMBL3978172 0.78 TP53 (0.42) TP53ALDH1A1
SCHEMBL3978169 0.78 TP53 (0.42) TP53ALDH1A1
SCHEMBL23611031 0.76 TP53 (0.40) TP53ALDH1A1
SCHEMBL29143263 0.76 TP53 (0.40) TP53ALDH1A1
SCHEMBL29478439 0.76 TP53 (0.40) TP53CA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4554551-B1 3-HYDROXYPROPYLESTERS AS ANTIMICROBIAL AGENTS SYMRISE AG (DE) 2026-03-11 EP claimed
EP-4110477-B1 COMPOSITIONS COMPRISING ONE OR MORE (BIO)-ALKANEDIOLS WITH ANTIOXIDANTS SYMRISE AG (DE) 2025-03-19 EP claimed
EP-4110891-B1 DISHWASH DETERGENT PRODUCT UNILEVER IP HOLDINGS B V (NL) 2025-01-08 EP claimed
WO-2025103941-A1 OIL-IN-WATER EMULSION, WITH IMPROVED SCALP TOLERANCE, FOR OXIDATIVELY CHANGING THE COLOR OF KERATIN FIBERS II HENKEL AG & CO. KGAA (DE) 2025-05-22 WO disclosed
WO-2025103667-A1 CLEANING AGENT CONTAINING PROTEASE HENKEL AG & CO. KGAA (DE) 2025-05-22 WO disclosed
WO-2025103944-A1 OIL-IN-WATER EMULSION, WITH IMPROVED SCALP TOLERANCE, FOR OXIDATIVELY CHANGING THE COLOR OF KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2025-05-22 WO disclosed
EP-3871652-B1 WATER-BASED SATURATION AGENT FOR WET WIPES DR SCHUMACHER GMBH (DE) 2025-01-15 EP disclosed
EP-3389791-B1 OXIDIZING AGENT FOR OXIDATIVELY COLORING OR BLEACHING KERATINIC FIBERS WITH DECREASED DAMAGEING HENKEL AG & CO KGAA (DE) 2020-02-05 EP disclosed
EP-3463272-A1 SELECTED DICARBOXYLIC ACIDS IN AGENTS THAT ARE GENTLE TO HAIR, AND METHOD FOR OXIDATIVE HAIR DYEING OR BLEACHING Henkel AG & Co. KGaA (DE) 2019-04-10 EP disclosed
EP-3389791-A1 OXIDANT FOR A LESS DAMAGING OXIDATIVE DYEING AND BLEACHING TREATMENT OF KERATIN FIBERS Henkel AG & Co. KGaA (DE) 2018-10-24 EP disclosed
WO-2017207630-A1 SELECTED DICARBOXYLIC ACIDS IN AGENTS THAT ARE GENTLE TO HAIR, AND METHOD FOR OXIDATIVE HAIR DYEING OR BLEACHING HENKEL AG & CO. KGAA (DE) 2017-12-07 WO disclosed
WO-2017102582-A1 OXIDANT FOR A LESS DAMAGING OXIDATIVE DYEING AND BLEACHING TREATMENT OF KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2017-06-22 WO disclosed
EP-1381664-B1 CLEAR FABRIC CONDITIONER HENKEL KGAA (DE) 2006-05-31 EP disclosed