SCHEMBL531702

SCHEMBL531702

C=CCc1c(COC(=O)OCc2cccc([N+](=O)[O-])c2CC=C)cccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GPR35 Q9HC97 1/20 0.37
ALDH1A1 P00352 9/20 0.36
TSHR P16473 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ERN1 O75460 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
SCHEMBL10229496 0.82 ALDH1A1 (0.44) TDP1GPR35ALDH1A1TSHRGABRA1
SCHEMBL164758 0.80 MAOB (0.47) MAOBKDM4EALDH1A1TSHRHTT
SCHEMBL10923400 0.79 TDP1 (0.48) TDP1GPR35ALDH1A1TSHRHTT
SCHEMBL795687 0.78 KDM4E (0.43) TDP1KDM4EGPR35ALDH1A1HTT
SCHEMBL286962 0.78 MAOB (0.56) MAOBALDH1A1TSHRHTTL3MBTL1
SCHEMBL499373 0.77 GPR35 (0.50) MAOBTDP1GPR35ALDH1A1TSHR
SCHEMBL8978449 0.76 TSHR (0.44) TDP1KDM4EGPR35ALDH1A1TSHR
SCHEMBL3258910 0.75 GPR35 (0.51) TDP1KDM4EGPR35ALDH1A1TSHR
SCHEMBL16401319 0.74 TSHR (0.54) TDP1KDM4EGPR35ALDH1A1TSHR
SCHEMBL3807003 0.74 KDM4E (0.45) TDP1KDM4EGPR35ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664817-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES Phio Pharmaceuticals Corp. (US) 2020-06-17 EP disclosed
WO-2019032619-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES PHIO PHARMACEUTICALS CORP. (US) 2019-02-14 WO disclosed
EP-3426654-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION President and Fellows of Harvard College (US) 2019-01-16 EP disclosed
WO-2018213365-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-11-22 WO disclosed
EP-3383852-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES Children's Medical Center Corporation (US) 2018-10-10 EP disclosed
EP-3347018-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES Dana-Farber Cancer Institute, Inc. (US) 2018-07-18 EP disclosed
EP-3319614-A1 NUCLEIC ACID MOLECULES TARGETING SUPEROXIDE DISMUTASE 1 (SOD1) RXi Pharmaceuticals Corporation (US) 2018-05-16 EP disclosed
WO-2017156265-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-14 WO disclosed
WO-2017095950-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-08 WO disclosed
WO-2017044858-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO disclosed
EP-2582836-A2 PRPK-TPRKB MODULATORS AND USES THEREOF Makoto Life Sciences, Inc. (US) 2013-04-24 EP disclosed
WO-2012075277-A2 SYNTHETIC METHODS NOVOMER, INC. (US) 2012-06-07 WO disclosed
WO-2012037282-A2 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-03-22 WO disclosed
WO-2012015691-A2 RECOMBINANT LECTINS, BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. (US) 2012-02-02 WO disclosed
WO-2011160042-A2 PRPK-TPRKB MODULATORS AND USES THEREOF MAKOTO LIFE SCIENCES, INC. (US) 2011-12-22 WO disclosed
WO-2009042972-A9 FLUORINATED LIPIDS AND METHODS OF USE TUFTS UNIVERSITY (US) 2011-02-03 WO disclosed
EP-1753713-A4 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2009-07-08 EP disclosed
WO-2009042972-A1 FLUORINATED LIPIDS AND METHODS OF USE TUFTS UNIVERSITY (US) 2009-04-02 WO 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