SCHEMBL4855693

SCHEMBL4855693

c1ccc2c(c1)cc1c3cccc4ccc5c6cccc7ccc8cc2c1c(c8c76)c5c43

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.71
FYN P06241 2/20 0.71
ACHE P22303 2/20 0.71
AHR P35869 2/20 0.71
ERBB2 P04626 1/20 0.71
MAOA P21397 1/20 0.71
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 7/20 0.56
HPGD P15428 6/20 0.56
THRB P10828 1/20 0.56
CYP1B1 Q16678 3/20 0.50
HIF1A Q16665 2/20 0.50
TSHR P16473 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
HPRT1 P00492 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4853739 0.98 CYP1A2 (0.75) CYP1A2FYNACHEAHRERBB2
SCHEMBL4846321 0.98 CYP1A2 (0.75) CYP1A2FYNACHEAHRERBB2
SCHEMBL4853645 0.96 CYP1A2 (0.78) CYP1A2FYNACHEAHRERBB2
SCHEMBL4855410 0.96 CYP1A2 (0.70) CYP1A2FYNACHEAHRERBB2
SCHEMBL4851468 0.94 CYP1A2 (0.74) CYP1A2FYNACHEAHRERBB2
SCHEMBL4852196 0.94 CYP1A2 (0.68) CYP1A2FYNACHEAHRERBB2
SCHEMBL132623 0.94 CYP1A2 (0.73) CYP1A2FYNACHEAHRERBB2
SCHEMBL5476035 0.94 CYP1A2 (0.61) CYP1A2FYNACHEAHRERBB2
SCHEMBL4855670 0.92 CYP1A2 (0.78) CYP1A2FYNACHEAHRERBB2
SCHEMBL20549686 0.92 CYP1A2 (0.66) 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 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