SCHEMBL732863

SCHEMBL732863

O=C1CCC(=O)[N+]1(O)OS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL28193525 0.76 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL27823782 0.73 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL7198539 0.72 PARL (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL15353366 0.71 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL15353362 0.71 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL27550503 0.71 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL139959 0.69 AURKA (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29623330 0.69 AURKA (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29825144 0.69 AURKA (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28203347 0.69 AURKA (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826780-A1 Detection of nucleic acids using G-quartets Becton, Dickinson and Company (US) 1998-03-04 EP claimed
US-5691145-A OLIGONUCLEOTIDE LABELLED WITH DONOR FLUOROPHORE AND ACCEPTOR DYE; DETECTING CHANGE IN FLUORESCENCE BECTON, DICKINSON AND COMPANY (US) 1997-11-25 US claimed
JP-10084983-A None JP disclosed
WO-2024081853-A2 MONOAMINE OXIDASE (MAO) ELECTROCHEMICAL BIOSENSOR AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2024-04-18 WO disclosed
US-20240099614-A1 HORMONE ELECTROCHEMICAL BIOSENSOR TRUSTEES OF BOSTON UNIVERSITY (US) 2024-03-28 US disclosed
US-11801000-B2 Hormone electrochemical biosensor TRUSTEES OF BOSTON UNIVERSITY (US) 2023-10-31 US disclosed
US-11536685-B2 High throughput assay for identifying microbial redox enzymes TRUSTEES OF BOSTON UNIVERSITY (US) 2022-12-27 US disclosed
US-11360104-B2 Microbial-based biosensors TRUSTEES OF BOSTON UNIVERSITY (US) 2022-06-14 US disclosed
US-11331020-B2 Enzyme-based electrochemical nicotine biosensor TRUSTEES OF BOSTON UNIVERSITY (US) 2022-05-17 US disclosed
US-20220136074-A1 ISOTHERMAL AMPLIFICATION AND AMBIENT VISUALIZATION IN A SINGLE TUBE FOR THE DETECTION OF SARS-COV-2 USING LOOP-MEDIATED AMPLIFICATION AND CRISPR TECHNOLOGY THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-05-05 US disclosed
US-20210285038-A1 Methods of Whole Genome Digital Amplification PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-09-16 US disclosed
US-5928869-A USING A OLIGONUCLEOTIDE DETECTOR BECTON, DICKINSON AND COMPANY 1999-07-27 US disclosed
US-5919630-A USING A OLIGONUCLEOTIDE DETECTOR BECTON, DICKINSON AND COMPANY (US) 1999-07-06 US disclosed
EP-0909823-A2 Detection of nucleic acids by fluorescence quenching Becton, Dickinson and Company (US) 1999-04-21 EP disclosed
US-5846726-A Detection of nucleic acids by fluorescence quenching BECTON, DICKINSON AND COMPANY (US) 1998-12-08 US disclosed
EP-0881302-A2 Detection of nucleic acids by fluorescence quenching Becton, Dickinson and Company (US) 1998-12-02 EP disclosed
EP-0878554-A2 Detection of nucleic acids by fluorescence quenching Becton, Dickinson and Company (US) 1998-11-18 EP disclosed
JP-H1084983-A DETECTION OF NUCLEIC ACID WITH G-TETRAMER BECTON DICKINSON & CO 1998-04-07 JP disclosed
EP-0826780-A1 Detection of nucleic acids using G-quartets Becton, Dickinson and Company (US) 1998-03-04 EP disclosed
US-5691145-A OLIGONUCLEOTIDE LABELLED WITH DONOR FLUOROPHORE AND ACCEPTOR DYE; DETECTING CHANGE IN FLUORESCENCE BECTON, DICKINSON AND COMPANY (US) 1997-11-25 US disclosed