SCHEMBL475204

SCHEMBL475204

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
CPA3 P15088 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
GSR P00390 1/20 0.41
FFAR1 O14842 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL4726274 0.90 TBXAS1 (0.42) ALDH1A1CYP2D6CYP1A2TSHRCYP2C19
SCHEMBL3024154 0.82 CA12 (0.44) ALDH1A1TSHRGSRKDM4ECYP3A4
SCHEMBL11130514 0.81 GSR (0.47) ALDH1A1CYP2D6GSRCNR1CNR2
SCHEMBL2555564 0.81 GABBR2 (0.47) CYP2D6CYP1A2TSHRCYP2C19CPA3
SCHEMBL27836708 0.80 GABBR2 (0.46) CYP2D6CYP1A2TSHRCYP2C19CPA3
SCHEMBL17999452 0.80 CYP3A4 (0.44) ALDH1A1CYP2D6CYP2C19KDM4ECYP3A4
SCHEMBL8097138 0.78 AOC3 (0.40) ALDH1A1GSRCNR1CNR2KDM4E
SCHEMBL1231748 0.78 GSR (0.40) ALDH1A1CYP1A2CYP2C19GSRCNR1
SCHEMBL20592078 0.78 HRH1 (0.52) ALDH1A1CYP2D6CYP1A2TSHRCYP2C19
SCHEMBL9641202 0.78 NPC1 (0.41) ALDH1A1CYP1A2CYP2C19GSRCNR1

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 73 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
EP-2411510-A2 CAL A-RELATED ACYLTRANSFERASES AND METHODS OF USE, THEREOF Danisco US Inc. (US) 2012-02-01 EP claimed
WO-2010111143-A2 CAL A-RELATED ACYLTRANSFERASES AND METHODS OF USE, THEREOF DANISCO US INC. (US) 2010-09-30 WO claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
WO-2024098050-A1 CURVED OPTICAL DEVICES, AND METHODS FOR MAKING SAME ALPHAMICRON INCORPORATED (US) 2024-05-10 WO disclosed
CN-117844523-A Separation method of low-rank coal white rot fungi liquefied products 黔南民族师范学院 2024-04-09 CN disclosed
WO-2024073046-A1 PHOTOVOLTAIC STRUCTURES HAVING A COMPOSITE CONDUCTOR ENERGY MATERIALS CORPORATION (US) 2024-04-04 WO disclosed
CN-117089538-A Ferulic acid esterase mutant and application thereof 武汉轻工大学 2023-11-21 CN disclosed
CN-107090486-B Articles and methods for detecting target microorganisms 3M创新有限公司 2021-09-03 CN disclosed
WO-2000056900-A2 PROMOTER SEQUENCES DERIVED FROM FUSARIUM VENENATUM AND USES THEREOF NOVO NORDISK BIOTECH, INC. (US) 2000-09-28 WO disclosed
EP-0975617-A4 INHIBITORS OF CHOLESTEROL ESTERASE UNIV NEW MEXICO (US) 2000-09-13 EP disclosed
EP-0975617-A1 INHIBITORS OF CHOLESTEROL ESTERASE The University of New Mexico (US) 2000-02-02 EP disclosed
WO-1998046585-A1 INHIBITORS OF CHOLESTEROL ESTERASE THE UNIVERSITY OF NEW MEXICO (US) 1998-10-22 WO disclosed
EP-0268452-A2 Novel hydrolase and method of production GENENCOR, INC. (US) 1988-05-25 EP disclosed
EP-0268456-A2 Enzymatic peracid bleaching system The Clorox Company (US) 1988-05-25 EP disclosed