SCHEMBL5478942

SCHEMBL5478942

c1ccc2c(c1)cc1c3cccc4c5ccccc5cc(c5cccc2c51)c43.c1conn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.39
▸ THRB P10828 1/20 0.35
▸ CYP11B1 P15538 1/20 0.33
▸ TRPM4 Q8TD43 1/20 0.32
▸ CYP2A6 P11509 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28684261 0.79 HPRT1 (0.54) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Anthracene SCHEMBL5477184 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Naphthalene SCHEMBL27805984 0.78 CYP2A6 (0.40) ALDH1A1CYP2A6F12PLAUNCF1
SCHEMBL2321840 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL132650 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Pyrene SCHEMBL28216865 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Phenazine SCHEMBL27734838 0.74 MAPT (0.50) ALDH1A1HSD17B10HPGDTSHRMAOA
SCHEMBL4846679 0.73 CYP1A2 (0.61) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL17474743 0.73 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL5479767 0.73 CYP1A2 (0.61) ALDH1A1HSD17B10CYP1A2HPGDHIF1A

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
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