SCHEMBL4855722

SCHEMBL4855722

c1cc2ccc3cc4cc5cccc6c7cccc8cc9ccc%10c(c1)c2c3c1c4c(c56)c(c87)c9c%101

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.69
ERBB2 P04626 1/20 0.69
FYN P06241 1/20 0.69
MAOA P21397 1/20 0.69
ACHE P22303 1/20 0.69
AHR P35869 1/20 0.69
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 7/20 0.58
HPGD P15428 5/20 0.58
THRB P10828 1/20 0.58
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1B1 Q16678 3/20 0.43
CYP1A1 P04798 2/20 0.43
HPRT1 P00492 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38

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
SCHEMBL4853683 1.00 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852697 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30875854 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853629 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4845221 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846712 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5474157 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5474216 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21821355 0.98 CYP1A2 (0.72) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4850514 0.95 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE

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
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
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed