SCHEMBL4854068

SCHEMBL4854068

c1cc2cccc3c4cc5ccc6ccc7cccc8c9ccc(c(c1)c23)c4c9c5c6c78

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.61
FYN P06241 2/20 0.61
ACHE P22303 2/20 0.61
AHR P35869 2/20 0.61
ERBB2 P04626 1/20 0.61
MAOA P21397 1/20 0.61
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 7/20 0.56
HPGD P15428 6/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1B1 Q16678 3/20 0.42
CYP1A1 P04798 2/20 0.42
HIF1A Q16665 2/20 0.39
HPRT1 P00492 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL5476035 0.96 CYP1A2 (0.61) CYP1A2FYNACHEAHRERBB2
SCHEMBL5473829 0.96 CYP1A2 (0.59) CYP1A2FYNACHEAHRERBB2
SCHEMBL5466363 0.93 CYP1A2 (0.63) CYP1A2FYNACHEAHRERBB2
SCHEMBL4765172 0.93 CYP1A2 (0.63) CYP1A2FYNACHEAHRERBB2
SCHEMBL4849479 0.93 CYP1A2 (0.63) CYP1A2FYNACHEAHRERBB2
SCHEMBL4856685 0.93 ALDH1A1 (0.58) CYP1A2FYNACHEAHRERBB2
SCHEMBL4762106 0.92 CYP1A2 (0.68) CYP1A2FYNACHEAHRERBB2
SCHEMBL4852527 0.91 ALDH1A1 (0.62) CYP1A2FYNACHEAHRERBB2
SCHEMBL4848755 0.91 CYP1A2 (0.67) CYP1A2FYNACHEAHRERBB2
SCHEMBL4846724 0.90 CYP1A2 (0.60) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US disclosed
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed