SCHEMBL8957435

SCHEMBL8957435

O=C([O-])CCC(=O)OCC(=O)O.[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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.34
THRB known ✓ P10828 1/20 0.32
CA4 known ✓ P22748 1/20 0.32
PAM P19021 3/20 0.48
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
FFAR3 O14843 2/20 0.37
TSHR P16473 1/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Zinc Ion SCHEMBL5953834 0.95 PAM (0.48) PAMHDAC3HDAC1HDAC2HDAC8
Potassium Ion SCHEMBL11542919 0.95 PAM (0.48) PAMHDAC3HDAC1HDAC2HDAC8
SCHEMBL94604 0.85 PAM (0.60) PAMTSHRCTHCBSTHPO
SCHEMBL11763865 0.83 PAM (0.58) PAMTSHRCTHCBSTHPO
SCHEMBL530330 0.80 PAM (0.56) PAMTSHRCTHCBSTHPO
SCHEMBL11411210 0.80 ADRA2A (0.40) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL9748922 0.79 CA4 (0.46) PAMTSHRCTHCBSTHPO
SCHEMBL1690889 0.78 CA1 (0.35) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL8957424 0.78 CA1 (0.35) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1690888 0.78 PAM (0.54) PAMTSHRCTHCBSTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119750906-A Health-preserving antibacterial ceramic glaze and preparation method thereof 福建省威尔陶瓷股份有限公司 2025-04-04 CN claimed
CN-115746280-B Water-soluble polyester and preparation method of high-solid-content solution thereof 安徽皖维高新材料股份有限公司 2024-09-24 CN claimed
CN-117867872-A Low-temperature dyeing auxiliary agent and preparation method thereof 福盈化学(苏州)有限公司 2024-04-12 CN claimed
CN-114249533-B Preparation method of graphene oxide glaze modified polished ceramic tile 广西蒙娜丽莎新材料有限公司 2023-12-19 CN claimed
CN-115746280-A Water-soluble polyester and preparation method of solution with high solid content 安徽皖维高新材料股份有限公司 2023-03-07 CN claimed
CN-114195553-B Preparation method of fibrous nano-alumina modified ceramic glazed tile 广西蒙娜丽莎新材料有限公司 2022-09-30 CN claimed
CN-111349504-B Water-based cutting fluid and preparation method thereof 中国石油化工股份有限公司 2022-06-07 CN claimed
CN-114249533-A Preparation method of graphene oxide glaze modified polished ceramic tile 广西蒙娜丽莎新材料有限公司 2022-03-29 CN claimed
CN-114195553-A Preparation method of fibrous nano-alumina modified ceramic glazed tile 广西蒙娜丽莎新材料有限公司 2022-03-18 CN claimed
CN-112143569-A Carbon deposit cleaning agent for automobile engine and use method thereof 绍兴市徐匠生物科技有限公司 2020-12-29 CN claimed
CN-108128857-B Composite organic acidifier for keeping drinking water of livestock clean and application thereof 佛山市南海东方澳龙制药有限公司 2020-08-21 CN claimed
CN-111349504-A Water-based cutting fluid and preparation method thereof 中国石油化工股份有限公司 2020-06-30 CN claimed
CN-108785327-A Improve composition, preparation method and the application of gastrointestinal health 佛山市南海东方澳龙制药有限公司 2018-11-13 CN claimed
CN-108128857-A Clean complex organic acidifier of a kind of maintenance poultry drinking-water and its preparation method and application 佛山市南海东方澳龙制药有限公司 2018-06-08 CN claimed
CN-108029883-A Complex organic acidifier and its preparation method and application 佛山市南海东方澳龙制药有限公司 2018-05-15 CN claimed
EP-0066924-A2 Detergent powders of improved solubility UNILEVER N.V. (NL) 1982-12-15 EP claimed
US-4058560-A TRIALKALI METAL CARBOXYMETHYLOXY SUCCINATE ETHYL CORPORATION (US) 1977-11-15 US claimed
CN-119971057-A Suspending agent composition for livestock, preparation method thereof, method for preparing suspension and application 佛山市正典生物技术有限公司 2025-05-13 CN disclosed
US-4071476-A BIODEGRADABLE TEXACO INC. (US) 1978-01-31 US disclosed
US-4039464-A ALKALI METAL SALTS OF DIACIDS TEXACO INC. (US) 1977-08-02 US disclosed