SCHEMBL20512334

SCHEMBL20512334

CC(NC(C(=O)O)C(=O)O)C(=O)[O-].CC(NC(C(=O)O)C(=O)O)C(=O)[O-].CC(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
SCHEMBL5693585 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120152694-A Stabilized fragrance compositions and uses thereof 弗门尼舍有限公司 2025-06-13 CN claimed
CN-119789840-A Composition, method and use for detoxifying hair and scalp 柯艾十八公司 2025-04-08 CN claimed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN claimed
CN-119744165-A Hair cleansing compositions, methods and uses thereof 柯艾十八公司 2025-04-01 CN claimed
CN-118234379-A Preservative composition 阿尔萨达股份公司 2024-06-21 CN claimed
CN-120152694-A Stabilized fragrance compositions and uses thereof 弗门尼舍有限公司 2025-06-13 CN disclosed
WO-2025103667-A1 CLEANING AGENT CONTAINING PROTEASE HENKEL AG & CO. KGAA (DE) 2025-05-22 WO disclosed
CN-119923247-A Compositions with improved SPF and UVA photoprotection 西姆莱斯股份公司 2025-05-02 CN disclosed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN disclosed
CN-119604270-A Comprising an antimicrobial agent accelerator composition 西姆莱斯股份公司 2025-03-11 CN disclosed
CN-119584951-A Composition comprising a UV filter stabilizer 西姆莱斯股份公司 2025-03-07 CN disclosed
CN-114207100-B Toilet bowl with improved gloss 汉高股份有限及两合公司 2024-12-20 CN disclosed
CN-116904270-A Antibacterial moisturizing tableware detergent 上海和黄白猫有限公司 2023-10-20 CN disclosed
CN-116438285-A Aqueous cleaning composition comprising nonionic surfactant, quaternary ammonium compound and chelating agent 联合利华知识产权控股有限公司 2023-07-14 CN disclosed
CN-113789231-B Fabric detergent and preparation process thereof 浙江雅澜洗涤有限公司 2023-07-11 CN disclosed
CN-116391020-A Aqueous alkaline abrasive cleaning composition 联合利华知识产权控股有限公司 2023-07-04 CN disclosed
CN-116367816-A Novel use of saccharide isomers 帝斯曼知识产权资产管理有限公司 2023-06-30 CN disclosed
CN-115368971-A Detergent for dish-washing machine 南京华狮新材料有限公司 2022-11-22 CN disclosed
CN-115279365-A Use of cannabidiol in the treatment of antidepressant-induced female sexual dysfunction 维拉生物科技有限公司 2022-11-01 CN disclosed
EP-3382000-A1 DISINFECTING AND CLEANING COMPOSITION Witty GmbH & Co. KG (DE) 2018-10-03 EP disclosed