SCHEMBL4848619

SCHEMBL4848619

c1ccc2c(c1)cc1ccc3cc4ccc5ccc6ccc7ccc8c2c1c3c1c4c5c6c7c81

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
ERBB2 P04626 1/20 0.61
FYN P06241 1/20 0.61
MAOA P21397 1/20 0.61
ACHE P22303 1/20 0.61
AHR P35869 1/20 0.61
HSD17B10 Q99714 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
HIF1A Q16665 3/20 0.44
CYP1B1 Q16678 1/20 0.44
THRB P10828 1/20 0.44
NQO2 P16083 2/20 0.43
HPRT1 P00492 3/20 0.42
NQO1 P15559 1/20 0.42
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP1 P29466 2/20 0.41

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
SCHEMBL4846493 0.94 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855283 0.92 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852627 0.92 CYP1A2 (0.68) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4851973 0.92 CYP1A2 (0.74) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5470699 0.91 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4847434 0.90 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852473 0.89 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855399 0.89 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4854612 0.88 CYP1A2 (0.63) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4845372 0.88 CYP1A2 (0.81) 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