SCHEMBL4846672

SCHEMBL4846672

c1ccc2c(c1)cc1c3ccccc3c3cc4ccccc4c4c5ccccc5c2c1c34

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 4/20 0.52
HPGD P15428 4/20 0.52
HIF1A Q16665 3/20 0.52
CYP1B1 Q16678 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
CASP1 P29466 2/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
TRPM4 Q8TD43 1/20 0.46
HPRT1 P00492 3/20 0.43
CYP2A6 P11509 2/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL31756887 0.97 ALDH1A1 (0.56) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL4847351 0.97 ALDH1A1 (0.56) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL4854639 0.92 ALDH1A1 (0.56) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL4852914 0.92 ALDH1A1 (0.62) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL4852007 0.92 HSD17B10 (0.60) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL11304527 0.90 ALDH1A1 (0.54) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL4852383 0.90 ALDH1A1 (0.59) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL5887637 0.89 ALDH1A1 (0.50) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL5475597 0.88 CYP1A2 (0.57) HSD17B10ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL5477664 0.87 ALDH1A1 (0.56) HSD17B10ALDH1A1CYP1A2HPGDHIF1A

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
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-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed