SCHEMBL668755

SCHEMBL668755

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

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 5/20 0.43
CA1 known ✓ P00915 1/20 0.30
RECQL P46063 1/20 0.46
CYP3A4 P08684 5/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34

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
Potassium Ion SCHEMBL11852844 0.98 RECQL (0.46) RECQLCYP3A4TSHRTDP1ATM
Silver SCHEMBL2027799 0.98 RECQL (0.46) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL910051 0.88 RECQL (0.48) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL2206851 0.87 RECQL (0.35) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL11140325 0.87 RECQL (0.47) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL6230350 0.85 CA2 (0.49) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL818559 0.85 CA2 (0.49) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL4614918 0.84 RECQL (0.41) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL1566325 0.83 CA2 (0.40) RECQLCYP3A4TSHRTDP1ATM
Lithium Ion SCHEMBL21747203 0.82 CA2 (0.46) RECQLCYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108226312-B Device and method for evaluating activity of surfactant in core displacement process 中国石油天然气股份有限公司 2024-01-30 CN claimed
US-11739252-B2 Microbecidal composition and a method for mitigating internal microbiological influenced corrosion in petroleum transporting pipelines INDIAN OIL CORPORATION LIMITED (IN) 2023-08-29 US claimed
US-20230089404-A1 Bioassisted Process For Selective Conversion Of Alkane Rich Refinery Stream INDIAN OIL CORPORATION LIMITED (IN) 2023-03-23 US claimed
EP-4151740-A1 A BIOASSISTED PROCESS FOR SELECTIVE CONVERSION OF ALKANE RICH REFINERY STREAM Indian Oil Corporation Limited (IN) 2023-03-22 EP claimed
US-11607646-B2 Process for CO2 capture from gaseous streams INDIAN OIL CORPORATION LIMITED (IN) 2023-03-21 US claimed
US-20220288531-A1 NOVEL ENZYMATIC PHASE TRANSFER SOLVENT FOR CO2/H2S CAPTURE INDIAN OIL CORPORATION LIMITED (IN) 2022-09-15 US claimed
EP-4056255-A1 A NOVEL ENZYMATIC PHASE TRANSFER SOLVENT FOR CO2/H2S CAPTURE Indian Oil Corporation Limited (IN) 2022-09-14 EP claimed
US-20210284894-A1 MICROBECIDAL COMPOSITION AND A METHOD FOR MITIGATING INTERNAL MICROBIOLOGICAL INFLUENCED CORROSION IN PETROLEUM TRANSPORTING PIPELINES INDIAN OIL CORPORATION LIMITED (IN) 2021-09-16 US claimed
EP-3620225-B1 PROCESS FOR CO2 CAPTURE FROM GASEOUS STREAMS INDIAN OIL CORP LTD (IN) 2021-04-28 EP claimed
EP-3620225-A1 PROCESS FOR CO2 CAPTURE FROM GASEOUS STREAMS INDIAN OIL CORPORATION Ltd. (IN) 2020-03-11 EP claimed
EP-0909296-B1 MODIFIED CARBON PRODUCTS AND AMPHIPHILIC IONS CONTAINING COMPOSITIONS CABOT CORP (US) 2001-10-17 EP claimed
EP-1060012-A1 METHODS FOR THE PREPARATION OF NANOSIZED MATERIAL PARTICLES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-12-20 EP claimed
WO-1999043427-A1 METHODS FOR THE PREPARATION OF NANOSIZED MATERIAL PARTICLES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-09-02 WO claimed
EP-0909296-A1 MODIFIED CARBON PRODUCTS AND AMPHIPHILIC IONS CONTAINING COMPOSITIONS CABOT CORPORATION (US) 1999-04-21 EP claimed
WO-1997047691-A1 MODIFIED CARBON PRODUCTS AND AMPHIPHILIC IONS CONTAINING COMPOSITIONS CABOT CORPORATION (US) 1997-12-18 WO claimed
US-5698016-A INKS, COATINGS CABOT CORPORATION (US) 1997-12-16 US claimed
US-4996366-A Process for the catalytic hydroformylation of olefins ENIRICERCHE S.P.A (IT) 1991-02-26 US claimed
US-4946623-A Process for the production of a ferromagnetic composition, ferromagnetic liquid crystal obtained by this process and apparatus using said liquid crystal COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1990-08-07 US claimed
US-4268613-A Agent for protecting the surface of lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1981-05-19 US claimed
US-RE29363-E False-twist texturing yarn of polyester filaments having multilobal cross sections E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-08-23 US claimed