SCHEMBL4852499

SCHEMBL4852499

c1ccc2c(c1)cc1ccc3ccc4cc5ccc6cccc7cc8c2c1c3c4c8c5c67

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.64
ERBB2 P04626 1/20 0.64
FYN P06241 1/20 0.64
MAOA P21397 1/20 0.64
ACHE P22303 1/20 0.64
AHR P35869 1/20 0.64
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 8/20 0.48
HPGD P15428 6/20 0.48
CYP1B1 Q16678 3/20 0.48
HIF1A Q16665 2/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.46
CYP1A1 P04798 2/20 0.46
CYP3A4 P08684 2/20 0.46
NQO2 P16083 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CES1 P23141 1/20 0.42
NQO1 P15559 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL4849324 0.92 CYP1A2 (0.78) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5470699 0.89 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853221 0.88 CYP1A2 (0.78) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4847872 0.88 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852203 0.88 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855399 0.87 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4851964 0.86 CYP1A2 (0.75) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4845533 0.86 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4854612 0.86 CYP1A2 (0.63) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5476707 0.86 CYP1A2 (0.68) 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 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