SCHEMBL5477286

SCHEMBL5477286

c1cc2ccc3cc4c(cc5cccc6c7cccc8cccc(c87)c4c56)c4ccc(c1)c2c34

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.64
FYN P06241 2/20 0.64
ACHE P22303 2/20 0.64
AHR P35869 2/20 0.64
ERBB2 P04626 1/20 0.64
MAOA P21397 1/20 0.64
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 6/20 0.54
HPGD P15428 6/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1B1 Q16678 3/20 0.46
CYP1A1 P04798 2/20 0.46
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL4855117 0.91 CYP1A2 (0.69) CYP1A2FYNACHEAHRERBB2
SCHEMBL4765172 0.91 CYP1A2 (0.63) CYP1A2FYNACHEAHRERBB2
SCHEMBL5466666 0.91 ALDH1A1 (0.56) CYP1A2FYNACHEAHRERBB2
SCHEMBL1255241 0.90 CYP1A2 (0.68) CYP1A2FYNACHEAHRERBB2
SCHEMBL4762106 0.90 CYP1A2 (0.68) CYP1A2FYNACHEAHRERBB2
SCHEMBL4846707 0.90 CYP1A2 (0.62) CYP1A2FYNACHEAHRERBB2
SCHEMBL27576080 0.90 CYP1A2 (0.62) CYP1A2FYNACHEAHRERBB2
SCHEMBL4854068 0.89 CYP1A2 (0.61) CYP1A2FYNACHEAHRERBB2
SCHEMBL5473829 0.89 CYP1A2 (0.59) CYP1A2FYNACHEAHRERBB2
SCHEMBL4847786 0.89 CYP1A2 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US claimed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US claimed
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO claimed