SCHEMBL17265010

SCHEMBL17265010

Cc1cccc(C)c1-c1ccc(O)c2ncccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.65
SLC6A2 P23975 1/20 0.65
COMT P21964 1/20 0.63
HSP90AA1 P07900 2/20 0.56
HSP90AB1 P08238 1/20 0.56
IDO1 P14902 1/20 0.56
PSMB5 P28074 1/20 0.56
KDM4E B2RXH2 9/20 0.55
L3MBTL1 Q9Y468 7/20 0.55
LMNA P02545 6/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
OPRK1 P41145 1/20 0.55
ALDH1A1 P00352 4/20 0.55
ALOX12 P18054 2/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL16586322 0.89 HTT (0.53) HTTSLC6A2COMTHSP90AA1HSP90AB1
SCHEMBL14451019 0.88 COMT (0.64) HTTSLC6A2COMTHSP90AA1HSP90AB1
SCHEMBL16585909 0.87 HTT (0.51) HTTSLC6A2COMTHSP90AA1HSP90AB1
Lithium SCHEMBL17924035 0.87 HTT (0.51) HTTSLC6A2COMTHSP90AA1HSP90AB1
SCHEMBL31481274 0.82 KDM4E (0.74) HTTSLC6A2COMTHSP90AA1HSP90AB1
Tiliquinol SCHEMBL30831638 0.79 HTT (1.00) HTTSLC6A2COMTHSP90AA1HSP90AB1
Tiliquinol SCHEMBL145245 0.79 HTT (1.00) HTTSLC6A2COMTHSP90AA1HSP90AB1
Tiliquinol SCHEMBL4776013 0.78 HTT (0.96) HTTSLC6A2COMTHSP90AA1HSP90AB1
Tiliquinol SCHEMBL2876839 0.78 HTT (0.96) HTTSLC6A2COMTHSP90AA1HSP90AB1
Tiliquinol SCHEMBL28651750 0.78 HTT (0.96) HTTSLC6A2COMTHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9601704-B2 Organic light-emitting device and display apparatus CANON KABUSHIKI KAISHA (JP) 2017-03-21 US disclosed
US-9466804-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2016-10-11 US disclosed
US-20150364703-A1 ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-12-17 US disclosed
US-20150357587-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-10 US disclosed
US-20150333279-A1 ORGANIC LIGHT-EMITTING ELEMENT AND DISPLAY APPARATUS SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-19 US disclosed