SCHEMBL3846232

SCHEMBL3846232

COc1ccc2cc(CC=O)c(=O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.56
HSD17B10 Q99714 11/20 0.56
ALDH1A1 P00352 9/20 0.56
HPGD P15428 4/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
ALOX15 P16050 2/20 0.56
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
TSHR P16473 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
IDH1 O75874 1/20 0.51
PKM P14618 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL4659631 0.79 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL7073150 0.78 KDM4E (0.63) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL29956595 0.78 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL1039269 0.78 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL3843996 0.78 DAO (0.55) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL7075514 0.76 HSD17B10 (0.68) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL21637918 0.76 ALDH1A1 (0.66) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL433980 0.75 BRD4 (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL3839965 0.75 CBFB (0.52) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL3846952 0.75 TAAR1 (0.36) KDM4EHSD17B10ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785721-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2014-10-08 EP disclosed
WO-2013080156-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-06 WO disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed