SCHEMBL2555564

SCHEMBL2555564

O=C(O)CC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 2/20 0.43
GSR P00390 1/20 0.43
KMT2A Q03164 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CPA1 P15085 5/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL27836708 0.98 GABBR2 (0.46) GABBR2GABBR1CYP1A2TSHRCYP2C19
SCHEMBL1305450 0.85 CYP2C19 (0.46) GABBR2GABBR1CYP1A2CYP2C19GSR
SCHEMBL28123480 0.85 KMT2A (0.51) CYP1A2CYP2C19GSRKMT2AMEN1
SCHEMBL11081089 0.85 GSR (0.41) GABBR2GABBR1CYP1A2TSHRCYP2C19
SCHEMBL475204 0.81 ALDH1A1 (0.43) GABBR2GABBR1CYP1A2TSHRCYP2C19
SCHEMBL1304856 0.81 ATM (0.51) CYP1A2CYP2C19KMT2AMEN1MAPT
SCHEMBL366294 0.81 FAAH (0.43) CYP1A2CYP2C19GSRKMT2AMEN1
SCHEMBL27604686 0.81 GSR (0.41) GABBR2GABBR1CYP1A2TSHRCYP2C19
SCHEMBL3336779 0.80 GSR (0.55) GSRKMT2AMEN1MAPTCPA1
SCHEMBL4726274 0.79 TBXAS1 (0.42) CYP1A2TSHRCYP2C19GSRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397738-A1 HIGH VISCOSITY INDEX MONOMETHYL ESTER LUBRICATING OIL BASE STOCKS AND METHODS OF MAKING AND USE THEREOF ExxonMobil Research and Engineering Company (US) 2018-11-07 EP claimed
US-20180119045-A1 HIGH VISCOSITY INDEX MONOMETHYL ESTER LUBRICATING OIL BASE STOCKS AND METHODS OF MAKING AND USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-05-03 US claimed
WO-2017116900-A1 HIGH VISCOSITY INDEX MONOMETHYL ESTER LUBRICATING OIL BASE STOCKS AND METHODS OF MAKING AND USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-07-06 WO claimed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
EP-1282680-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2003-02-12 EP claimed
EP-1255806-A1 STABLE, AQUEOUS COMPOSITIONS FOR TREATING SURFACES, ESPECIALLY FABRICS THE PROCTER & GAMBLE COMPANY (US) 2002-11-13 EP claimed
WO-2001088076-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2001-11-22 WO claimed
US-6289286-B1 Surface regeneration of biosensors and characterization of biomolecules associated therewith BIACORE AB (SE) 2001-09-11 US claimed
WO-2001060961-A1 STABLE, AQUEOUS COMPOSITIONS FOR TREATING SURFACES, ESPECIALLY FABRICS THE PROCTER & GAMBLE COMPANY (US) 2001-08-23 WO claimed
EP-1082607-A1 SURFACE REGENERATION OF BIOSENSORS Biacore AB (SE) 2001-03-14 EP claimed
WO-1999063333-A1 SURFACE REGENERATION OF BIOSENSORS BIACORE AB (SE) 1999-12-09 WO claimed
JP-63072606-A None JP disclosed
CN-107090486-B Articles and methods for detecting target microorganisms 3M创新有限公司 2021-09-03 CN disclosed
US-10233403-B2 High viscosity index monomethyl ester lubricating oil base stocks and methods of making and use thereof EXXONMOBiL RESEARCH AND ENGiNEERENG COMPANY (US) 2019-03-19 US disclosed
EP-3397737-A2 LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF ExxonMobil Research and Engineering Company (US) 2018-11-07 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997025058-A1 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN, INC. (US) 1997-07-17 WO disclosed
JP-S6372606-A PLANT GROWTH REGULATOR TAKI CHEM CO LTD 1988-04-02 JP disclosed