SCHEMBL4854579

SCHEMBL4854579

c1ccc2cc3c(cc2c1)c1cccc2c4cccc5ccc6ccc3c(c12)c6c54

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
HSD17B10 Q99714 9/20 0.62
HPGD P15428 6/20 0.62
CYP1A2 P05177 4/20 0.62
THRB P10828 1/20 0.62
FYN P06241 2/20 0.61
ACHE P22303 2/20 0.61
AHR P35869 2/20 0.61
ERBB2 P04626 1/20 0.61
MAOA P21397 1/20 0.61
HIF1A Q16665 4/20 0.44
CYP1B1 Q16678 2/20 0.44
TSHR P16473 7/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPRT1 P00492 3/20 0.42
CYP1A1 P04798 1/20 0.42
MAPK1 P28482 4/20 0.41
CASP1 P29466 3/20 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
SCHEMBL11308487 0.96 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5470318 0.92 CYP1A2 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5477697 0.91 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL987470 0.91 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5478530 0.91 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4854590 0.91 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4657341 0.90 CYP1A2 (0.66) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4855410 0.89 CYP1A2 (0.70) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL1978380 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4847142 0.89 CYP1A2 (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 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
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed