SCHEMBL795688

SCHEMBL795688

C=CCc1cccc(OC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 7/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.35
ELANE P08246 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL795689 1.00 MEN1 (0.39) MEN1KMT2AKDM4EGABRA1GABRB2
SCHEMBL5148279 0.81 ALDH1A1 (0.44) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL5147274 0.81 HPGD (0.38) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL7604820 0.81 HPGD (0.35) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL7604823 0.81 HPGD (0.35) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL11172226 0.80 ALDH1A1 (0.47) MEN1KMT2AGABRA1GABRB2HPGD
SCHEMBL6884210 0.79 HPGD (0.37) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6513679 0.79 HPGD (0.42) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL6513683 0.79 HPGD (0.42) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL6257849 0.79 HPGD (0.37) MEN1KMT2AKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997473-B1 Use of a multi-carbosite, multi-group coupling agent for protecting the colour of artificially dyed keratin fibres with respect to washing; dyeing processes L'ORÉAL (FR) 2017-08-16 EP claimed
EP-4121029-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
EP-4028028-A1 SYSTEMS AND ASSAYS FOR IDENTIFYING PU.1 INHIBITORS Massachusetts Institute of Technology (US) 2022-07-20 EP disclosed
US-20220133905-A1 METHODS FOR ASSEMBLING SCAVENGING PARTICLES NANOTICS, LLC 2022-05-05 US disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-11065345-B2 Methods for assembling scavenging particles NANOTICS, LLC (US) 2021-07-20 US disclosed
WO-2021096591-A1 FUNCTIONAL OLIGOMERS AND FUNCTIONAL POLYMERS INCLUDING HYDROXYLATED POLYMERS AND CONJUGATES THEREOF AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-05-20 WO disclosed
WO-2021051016-A1 SYSTEMS AND ASSAYS FOR IDENTIFYING PU.1 INHIBITORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-18 WO disclosed
EP-3774767-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF Beth Israel Deaconess Medical Center, Inc. (US) 2021-02-17 EP disclosed
US-20200179531-A1 METHODS FOR ASSEMBLING SCAVENGING PARTICLES NANOTICS, LLC 2020-06-11 US disclosed
WO-2013067460-A1 METAL COMPLEXES FOR THE COPOLYMERIZATION OF CARBON DIOXIDE AND EPOXIDES NOVOMER, INC. (US) 2013-05-10 WO disclosed
EP-2582836-A2 PRPK-TPRKB MODULATORS AND USES THEREOF Makoto Life Sciences, Inc. (US) 2013-04-24 EP disclosed
WO-2013055747-A1 METHODS TO PRODUCE ALKYLATED POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2013-04-18 WO disclosed
WO-2012075277-A2 SYNTHETIC METHODS NOVOMER, INC. (US) 2012-06-07 WO disclosed
WO-2012040454-A2 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES NOVOMER, INC. (US) 2012-03-29 WO disclosed
WO-2012037282-A2 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-03-22 WO disclosed
WO-2011160042-A2 PRPK-TPRKB MODULATORS AND USES THEREOF MAKOTO LIFE SCIENCES, INC. (US) 2011-12-22 WO disclosed
EP-1753713-A4 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2009-07-08 EP disclosed
EP-1753713-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2007-02-21 EP disclosed
WO-2005112945-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 WO disclosed