SCHEMBL5469879

SCHEMBL5469879

c1ccc2c(c1)c1cccc3c4cc5cc6c7cccc8cccc(c9cccc(c5cc4c4cccc2c4c13)c96)c87

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
HSD17B10 Q99714 8/20 0.54
CYP1A2 P05177 5/20 0.54
HPGD P15428 5/20 0.54
THRB P10828 1/20 0.54
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
HIF1A Q16665 3/20 0.43
CYP1B1 Q16678 2/20 0.43
TSHR P16473 5/20 0.39
MAPK1 P28482 3/20 0.39
CASP1 P29466 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPRT1 P00492 3/20 0.36
TP53 P04637 1/20 0.35
CASP7 P55210 1/20 0.35
CYP1A1 P04798 1/20 0.35

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
SCHEMBL503617 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2298145 0.90 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2585346 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL1978902 0.87 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4851988 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL7128292 0.87 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL136007 0.85 CYP1A2 (0.55) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29452846 0.85 CYP1A2 (0.55) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL441019 0.83 CYP1A2 (0.53) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5480086 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US disclosed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US disclosed