SCHEMBL4856708

SCHEMBL4856708

c1cc2cccc3c2c(c1)c1ccc2c4cccc5cccc(c54)c4c5ccccc5c3c1c24

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
HSD17B10 Q99714 10/20 0.62
HPGD P15428 8/20 0.62
CYP1A2 P05177 6/20 0.62
THRB P10828 1/20 0.62
MAOA P21397 2/20 0.54
ERBB2 P04626 1/20 0.54
FYN P06241 1/20 0.54
ACHE P22303 1/20 0.54
AHR P35869 1/20 0.54
HPRT1 P00492 1/20 0.46
TSHR P16473 8/20 0.45
CYP3A4 P08684 5/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 4/20 0.43
ATM Q13315 2/20 0.43
CYP2A6 P11509 4/20 0.43
TDP1 Q9NUW8 3/20 0.43

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
SCHEMBL347568 0.94 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5477252 0.94 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4854081 0.93 HSD17B10 (0.76) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4848747 0.91 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29354688 0.91 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4501676 0.91 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29105767 0.91 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29369890 0.91 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4847699 0.90 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2539407 0.90 HSD17B10 (0.80) 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 7 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
JP-2000044498-A HYDROCARBON COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC 2000-02-15 JP disclosed