SCHEMBL354781

SCHEMBL354781

CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.44

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 15)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.33
CA1 known ✓ P00915 2/20 0.33
FAAH O00519 5/20 0.44
RECQL P46063 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.33
NAAA Q02083 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 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
SCHEMBL1092383 0.94 FAAH (0.52) FAAHRECQLCNR1CNR2MAPT
SCHEMBL5155378 0.91 FAAH (0.37) FAAHRECQLCNR1CNR2CYP3A4
SCHEMBL8408859 0.87 RECQL (0.54) FAAHRECQLCNR1CNR2EPHX2
SCHEMBL29923901 0.85 RECQL (0.52) FAAHRECQLCNR1CNR2EPHX2
SCHEMBL2437880 0.85 RECQL (0.52) FAAHRECQLCNR1CNR2EPHX2
SCHEMBL20773925 0.85 RECQL (0.52) FAAHRECQLCNR1CNR2EPHX2
SCHEMBL6128361 0.84 RECQL (0.51) FAAHRECQLCNR1CNR2EPHX2
SCHEMBL6121600 0.82 FAAH (0.50) FAAHRECQLCNR1CNR2MAPT
SCHEMBL4385317 0.82 CYP19A1 (0.36) CA2
SCHEMBL19874781 0.81 FAAH (0.52) FAAHRECQLCNR1CNR2MAPT

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 1083 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370636-A1 A PREMIX COMPRISING ALKYL POLYGLYCOSIDE FOR USE IN PREPARING A LIQUID DETERGENT FORMULATION BASF SE (DE) 2024-05-22 EP claimed
CN-117730137-A Premix comprising alkyl polyglycoside for preparing liquid detergent formulations 巴斯夫欧洲公司 2024-03-19 CN claimed
US-20240003033-A1 COMPOUND DISPERSANT AND PREPARATION METHOD, AND MIXED ELECTROPLATING SOLUTION AND PREPARATION METHOD ZHEJIANG CHINT ELECTRICS CO.,LTD. (CN) 2024-01-04 US claimed
US-20240003035-A1 COMPOUND DISPERSANT AND PREPARATION METHOD, AND MIXED ELECTROPLATING SOLUTION AND PREPARATION METHOD ZHEJIANG CHINT ELECTRICS CO.,LTD. (CN) 2024-01-04 US claimed
CN-114989898-B Grinding and polishing residue cleaning liquid and preparation method and application thereof 三达奥克化学股份有限公司 2023-10-20 CN claimed
EP-4242360-A1 COMPOUND DISPERSANT AND PREPARATION METHOD, AND MIXED ELECTROPLATING SOLUTION AND PREPARATION METHOD Zhejiang Chint Electrics Co., Ltd. (CN) 2023-09-13 EP claimed
EP-4227443-A1 COMPOUND DISPERSANT AND PREPARATION METHOD, AND MIXED ELECTROPLATING SOLUTION AND PREPARATION METHOD Zhejiang Chint Electrics Co., Ltd. (CN) 2023-08-16 EP claimed
CN-114316929-B Microbubble foaming system for foam drilling 中石化南京化工研究院有限公司 2023-03-28 CN claimed
WO-2023285245-A1 A PREMIX COMPRISING ALKYL POLYGLYCOSIDE FOR USE IN PREPARING A LIQUID DETERGENT FORMULATION BASF SE (DE) 2023-01-19 WO claimed
CN-114069157-B High-porosity battery diaphragm and preparation method thereof 南京雷文斯顿企业管理咨询有限公司 2022-12-30 CN claimed
CN-1361099-A Prepn of dihexyl sodium sulfosuccinate NANJING SCIENCE & ENGINEERING (CN) 2002-07-31 CN claimed
EP-1102834-A1 RINSE-AID FORMULATION THE PROCTER & GAMBLE COMPANY (US) 2001-05-30 EP claimed
WO-2000008126-A1 PROCESS FOR FORMING A STABLE NON-PHASE SEPARATING RINSE-AID DISPERSION THE PROCTER & GAMBLE COMPANY (US) 2000-02-17 WO claimed
WO-2000008125-A1 RINSE-AID FORMULATION THE PROCTER & GAMBLE COMPANY (US) 2000-02-17 WO claimed
US-5888492-A MIXTURE OF HYDROCARBON OIL, FLOW CONTROL AGENT AND FATTY ESTER THE ANDREW JERGENS COMPANY (US) 1999-03-30 US claimed
US-5514300-A BIODEGRADABLE DOTOLO RESEARCH CORPORATION (US) 1996-05-07 US claimed
US-4902344-A Ferric chloride leach of a metal-sulphide bearing material CANADIAN PATENTS & DEVELOPMENT LTD. (CA) 1990-02-20 US claimed
US-4094841-A EMULSION POLYMERIZATION OF AROMATIC OLEFIN AND AN ACRYLIC AMIDE THE DOW CHEMICAL COMPANY (US) 1978-06-13 US claimed
US-4075134-A EMULSION POLYMERIZATION METHOD FOR PREPARING MICROSPHERES HAVING LIQUID CENTER AND SEAMLESS RIGID WALLS THE DOW CHEMICAL COMPANY (US) 1978-02-21 US claimed
US-4048118-A ALKALI METAL SALT OF ORGANIC ACID, AMINE SALT OF PHYTIC ACID SHOWA DENKO K.K. (JA) 1977-09-13 US claimed