SCHEMBL7028240

SCHEMBL7028240

COC=CC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.68
ABCG2 Q9UNQ0 1/20 0.64
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
PARP10 Q53GL7 1/20 0.57
SRD5A2 P31213 1/20 0.56
PTPN1 P18031 1/20 0.56
PLA2G4B P0C869 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
GSK3B P49841 1/20 0.52
BACE1 P56817 1/20 0.52
EGFR P00533 1/20 0.52
GPR52 Q9Y2T5 1/20 0.52

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
SCHEMBL5906815 0.82 ALDH1A1 (0.68) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL5906811 0.82 ALDH1A1 (0.68) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL9741569 0.81 MAOB (0.62) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL11326878 0.80 NR4A1 (0.70) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL7529869 0.79 AKT1 (0.59) MAOBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11882381 0.79 AKT1 (0.59) MAOBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1875162 0.79 AKT1 (0.59) MAOBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1443169 0.79 NR4A1 (0.68) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL976815 0.79 MAOB (0.81) MAOBABCG2NPC1RAB9AALDH1A1
SCHEMBL976816 0.79 MAOB (0.81) MAOBABCG2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929509-B1 LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2003-01-15 EP disclosed
US-20020066886-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES QINETIQ LIMITED (GB) 2002-06-06 US disclosed
US-6187393-B1 FOR LIQUID CRYSTAL DISPLAYS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-13 US disclosed
EP-0929509-A1 LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-21 EP disclosed
WO-1998013339-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-04-02 WO disclosed
WO-1998013326-A1 LIQUID CRYSTAL ALKENYL BICYCLO[2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-04-02 WO disclosed