SCHEMBL4852473

SCHEMBL4852473

c1ccc2c(c1)cc1cc3ccc4ccc5ccc6cc7cccc8c7c7c6c5c4c3c7c1c28

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 9/20 0.54
HSD17B10 Q99714 9/20 0.54
HPGD P15428 7/20 0.54
THRB P10828 1/20 0.54
CYP1B1 Q16678 3/20 0.43
HIF1A Q16665 3/20 0.43
NQO2 P16083 2/20 0.42
CES1 P23141 1/20 0.42
NQO1 P15559 1/20 0.41
TSHR P16473 5/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A1 P04798 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 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
SCHEMBL4855399 0.96 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855283 0.94 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846493 0.92 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852517 0.91 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4847555 0.91 CYP1A2 (0.61) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4854612 0.90 CYP1A2 (0.63) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4851973 0.90 CYP1A2 (0.74) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4848619 0.89 CYP1A2 (0.61) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846665 0.89 ALDH1A1 (0.70) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31019665 0.89 CYP1A2 (0.73) 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