SCHEMBL3420477

SCHEMBL3420477

CCCCCC(=O)C(C)(O)C(=O)[O-].[Na+]

nearest known ligand 0.50

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 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 known ✓ P00915 1/20 0.45
▸ FAAH O00519 8/20 0.50
▸ CES1 P23141 9/20 0.48
▸ CES2 O00748 6/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ AKR1B1 P15121 1/20 0.41

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
SCHEMBL5424532 0.98 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL157582 0.98 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL67299 0.98 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1434474 0.98 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1434216 0.98 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1434320 0.98 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8050067 0.94 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8038894 0.94 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
Potassium Ion SCHEMBL8081715 0.94 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
Potassium Ion SCHEMBL8074283 0.94 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604270-A Comprising an antimicrobial agent accelerator composition 西姆莱斯股份公司 2025-03-11 — — CN claimed
CN-119031839-A Compositions comprising an antimicrobial agent and an alkyl ketal ester compound 西姆莱斯股份公司 2024-11-26 — — CN claimed
CN-116546961-A Composition for product protection comprising (bio) -alkanediol and antimicrobial agent 西姆莱斯股份公司 2023-08-04 — — CN claimed
CN-116133639-A Formulations and methods for treating inflammatory diseases 维奥梅治疗公司 2023-05-16 — — CN claimed
CN-115175660-A Composition comprising rhamnolipids, alkylpolyglycosides and acyl lactylates 赢创运营有限公司 2022-10-11 — — CN claimed
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-119604267-A Compositions with improved SPF and UVA photoprotection 西姆莱斯股份公司 2025-03-11 — — 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-119031839-A Compositions comprising an antimicrobial agent and an alkyl ketal ester compound 西姆莱斯股份公司 2024-11-26 — — CN disclosed
CN-116999376-A Active substance combinations for cosmetic preparations 拉普雷集团股份有限公司 2023-11-07 — — CN disclosed
US-20070179207-A1 High alcohol content foaming compositions with silicone-based surfactants DEB IP LIMITED (GB) 2007-08-02 — — US disclosed
US-7199090-B2 High alcohol content gel-like and foaming compositions comprising an alcohol and fluorosurfactant ETHENA HEALTHCARE INC. (CA) 2007-04-03 — — US disclosed
US-20070065383-A1 High alcohol content foaming compositions with silicone-based surfactants DEB IP LIMITED (GB) 2007-03-22 — — US disclosed
US-20070027055-A1 High alcohol content gel-like and foaming compositions DEB IP LIMITED (GB) 2007-02-01 — — US disclosed
WO-2006094387-A1 HIGH ALCOHOL CONTENT FOAMING COMPOSITIONS WITH SILICONE-BASED SURFACTANTS DEB WORLDWIDE HEALTHCARE INC (CA) 2006-09-14 — — WO disclosed
EP-1668105-A1 HIGH ALCOHOL CONTENT GEL-LIKE AND FOAMING COMPOSITIONS Ethena Healthcare Inc. (CA) 2006-06-14 — — EP disclosed
US-20050129626-A1 High alcohol content gel-like and foaming compositions DEB IP LIMITED (GB) 2005-06-16 — — US disclosed
WO-2005030917-A1 HIGH ALCOHOL CONTENT GEL-LIKE AND FOAMING COMPOSITIONS ETHENA HEALTHCARE INC. (CA) 2005-04-07 — — WO disclosed
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