SCHEMBL530423

SCHEMBL530423

C=CCCOc1ccccc1COC(=O)OCc1ccccc1OCCC=C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
HRH1 P35367 2/20 0.37
HTT P42858 1/20 0.37
LIG1 P18858 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL18824237 0.86 LIG1 (0.51) KDM4EALDH1A1L3MBTL1MAPTHPGD
SCHEMBL17008015 0.81 KDM4E (0.57) KDM4EALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL1009322 0.81 MAPT (0.49) ALDH1A1L3MBTL1MAPTNPSR1HPGD
SCHEMBL10600012 0.80 KDM4E (0.55) KDM4EALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL16150030 0.80 KDM4E (0.55) KDM4EALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL1006618 0.79 PPARD (0.49) KDM4EALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL18714399 0.78 KDM4E (0.59) KDM4EALDH1A1MAPTTSHRLMNA
SCHEMBL22700920 0.78 KDM4E (0.53) KDM4EALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL2234321 0.78 KDM4E (0.53) KDM4EALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL17008005 0.77 KDM4E (0.50) KDM4EL3MBTL1KMT2APPARGHRH1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3347018-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES Dana-Farber Cancer Institute, Inc. (US) 2018-07-18 EP disclosed
EP-3236959-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana Farber Cancer Institute, Inc. (US) 2017-11-01 EP disclosed
WO-2017044858-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO disclosed
WO-2016105528-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 WO disclosed
EP-2956138-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2015-12-23 EP disclosed
WO-2015057958-A2 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-23 WO disclosed
EP-2831079-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF Agency For Science, Technology And Research (SG) 2015-02-04 EP disclosed
WO-2014127214-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 WO disclosed
WO-2013147711-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-10-03 WO disclosed
EP-2598522-A2 RECOMBINANT LECTINS, BINDING-SITE MODIFIED LECTINS AND USES THEREOF Smartcells, Inc. (US) 2013-06-05 EP disclosed
EP-2582836-A2 PRPK-TPRKB MODULATORS AND USES THEREOF Makoto Life Sciences, Inc. (US) 2013-04-24 EP 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