SCHEMBL4851864

SCHEMBL4851864

c1cc2ccc3cccc4c5cc6c(cc5c(c1)c2c34)c1cccc2ccc3cccc6c3c21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
HSD17B10 Q99714 8/20 0.74
HPGD P15428 6/20 0.74
CYP1A2 P05177 4/20 0.74
THRB P10828 1/20 0.74
ERBB2 P04626 1/20 0.62
FYN P06241 1/20 0.62
MAOA P21397 1/20 0.62
ACHE P22303 1/20 0.62
AHR P35869 1/20 0.62
TSHR P16473 6/20 0.56
CYP3A4 P08684 3/20 0.56
CYP1B1 Q16678 3/20 0.56
CYP1A1 P04798 2/20 0.56
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP2A6 P11509 1/20 0.45
HIF1A Q16665 3/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 2/20 0.44

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
SCHEMBL4848741 0.95 ALDH1A1 (0.84) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4850148 0.91 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL30236746 0.91 ALDH1A1 (0.88) ALDH1A1HSD17B10HPGDCYP1A2THRB
Pyrene SCHEMBL6701359 0.90 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL987470 0.89 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29375094 0.88 ALDH1A1 (0.82) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL606940 0.88 ALDH1A1 (0.82) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29370709 0.88 ALDH1A1 (0.82) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5413311 0.87 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4855866 0.86 ALDH1A1 (0.70) 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