Benzo[E]Pyrene

Benzo[E]Pyrene

SCHEMBL4977467

c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
HSD17B10 Q99714 7/20 0.76
HPGD P15428 5/20 0.76
CYP1A2 P05177 3/20 0.76
THRB P10828 1/20 0.76
TSHR P16473 6/20 0.71
MAPK1 P28482 4/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
ATM Q13315 2/20 0.71
CASP1 P29466 3/20 0.59
HIF1A Q16665 2/20 0.59
CASP7 P55210 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 3/20 0.56
DNMT1 P26358 2/20 0.56
PABPC1 P11940 1/20 0.56
ERBB2 P04626 1/20 0.54
FYN P06241 1/20 0.54
MAOA P21397 1/20 0.54
ACHE P22303 1/20 0.54

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
Triphenylene SCHEMBL21351780 0.93 ALDH1A1 (0.83) ALDH1A1HSD17B10HPGDCYP1A2THRB
Fluoranthene SCHEMBL5469984 0.90 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDCYP1A2THRB
Triphenylene SCHEMBL5783342 0.89 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
Chrysene SCHEMBL16034318 0.88 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCYP1A2THRB
Fluoranthene SCHEMBL8344415 0.88 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL4983272 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL29432647 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL24020 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL29357057 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Pyrene SCHEMBL7758213 0.86 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359790-B1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CO (US) 2008-10-29 EP disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
EP-1359790-A2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2003-11-05 EP disclosed