SCHEMBL2555562

SCHEMBL2555562

O=C(O)C(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 8/20 0.59
CYP1A2 P05177 1/20 0.53
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CPA3 P15088 2/20 0.47
FOLH1 Q04609 1/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
SRR Q9GZT4 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
ALPG P10696 1/20 0.44

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
SCHEMBL11081087 0.87 CPA1 (0.53) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL11856157 0.85 CPA1 (0.51) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL1305447 0.85 CPA1 (0.51) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL30871914 0.85 SLC7A5 (0.53) CPA1SLC7A5FOLH1POLB
SCHEMBL28007680 0.84 MDM2 (0.58) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL475203 0.81 CPA1 (0.47) CPA1
SCHEMBL27623586 0.81 CPA1 (0.47) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL28210499 0.81 CPA1 (0.47) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL4726273 0.79 GRIK1 (0.49) CPA1PKM
SCHEMBL1897012 0.79 CPA1 (0.45) CPA1CYP1A2HSD17B10

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-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS 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
EP-0083332-A2 Asymmetric reduction of nitro-containing prochiral compounds MONSANTO COMPANY (US) 1983-07-06 EP claimed
CN-107698474-B The synthetic method of prothetic group linking arm, its synthetic method and two ubiquitin 中国科学技术大学 2019-10-22 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
EP-0083332-A2 Asymmetric reduction of nitro-containing prochiral compounds MONSANTO COMPANY (US) 1983-07-06 EP disclosed