SCHEMBL4848741

SCHEMBL4848741

c1ccc2c(c1)c1ccccc1c1cc3c(cc21)c1cccc2ccc4cccc3c4c21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.84
HSD17B10 Q99714 9/20 0.84
HPGD P15428 6/20 0.84
CYP1A2 P05177 4/20 0.84
THRB P10828 1/20 0.84
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
TSHR P16473 6/20 0.50
HPRT1 P00492 3/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A1 P04798 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
CYP2A6 P11509 1/20 0.48
HIF1A Q16665 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 3/20 0.46

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
SCHEMBL4851864 0.95 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL29357057 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL29432647 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL24020 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL4983272 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCYP1A2THRB
Pyrene SCHEMBL6701359 0.90 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL712530 0.90 ALDH1A1 (0.84) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL987470 0.90 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL1179468 0.89 ALDH1A1 (0.94) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL28840328 0.89 ALDH1A1 (0.94) 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 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