SCHEMBL441019

SCHEMBL441019

[Au].c1ccc2c(c1)cc1c2cc2c3cccc4cccc(c43)c3c4cc5ccccc5c4cc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.53
FYN P06241 2/20 0.53
ACHE P22303 2/20 0.53
AHR P35869 2/20 0.53
ERBB2 P04626 1/20 0.53
MAOA P21397 1/20 0.53
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 8/20 0.48
HPGD P15428 5/20 0.48
TSHR P16473 5/20 0.48
HIF1A Q16665 3/20 0.48
MAPK1 P28482 3/20 0.48
CASP1 P29466 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1B1 Q16678 2/20 0.48
THRB P10828 1/20 0.48
TRPM4 Q8TD43 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.36

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
SCHEMBL136007 0.98 CYP1A2 (0.55) CYP1A2FYNACHEAHRERBB2
SCHEMBL29452846 0.98 CYP1A2 (0.55) CYP1A2FYNACHEAHRERBB2
SCHEMBL1262041 0.91 CYP1A2 (0.57) CYP1A2FYNACHEAHRERBB2
SCHEMBL9719548 0.89 CYP1A2 (0.54) CYP1A2FYNACHEAHRERBB2
SCHEMBL4855276 0.87 CYP1A2 (0.63) CYP1A2FYNACHEAHRERBB2
SCHEMBL4846679 0.87 CYP1A2 (0.61) CYP1A2FYNACHEAHRERBB2
SCHEMBL5479005 0.87 ALDH1A1 (0.56) CYP1A2FYNACHEAHRERBB2
SCHEMBL5479767 0.87 CYP1A2 (0.61) CYP1A2FYNACHEAHRERBB2
SCHEMBL8321936 0.86 ALDH1A1 (0.58) CYP1A2FYNACHEAHRERBB2
SCHEMBL868423 0.86 ALDH1A1 (0.58) CYP1A2FYNACHEAHRERBB2

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
CN-102460714-A Structural templating for organic electronic devices having an organic film with long range order UNIV MICHIGAN 2012-05-16 CN disclosed
EP-2438626-A2 STRUCTURAL TEMPLATING FOR ORGANIC ELECTRONIC DEVICES HAVING AN ORGANIC FILM WITH LONG RANGE ORDER The Regents Of The University Of Michigan (US) 2012-04-11 EP disclosed
US-20120061658-A1 STRUCTURAL TEMPLATING FOR ORGANIC ELECTRONIC DEVICES HAVING AN ORGANIC FILM WITH LONG RANGE ORDER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-15 US disclosed
WO-2011025567-A2 STRUCTURAL TEMPLATING FOR ORGANIC ELECTRONIC DEVICES HAVING AN ORGANIC FILM WITH LONG RANGE ORDER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-03 WO disclosed