SCHEMBL10045918

SCHEMBL10045918

O=C1c2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2CCc2ccc(-c3ccc4c(ccc5ccccc54)c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.41
CYP1B1 Q16678 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HIF1A Q16665 2/20 0.41
GSTP1 P09211 1/20 0.40
HPRT1 P00492 1/20 0.39
CES1 P23141 1/20 0.39
CYP1A1 P04798 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
PAX8 Q06710 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL10045920 0.93 TYRO3 (0.41) TDP1L3MBTL1ALDH1A1CYP1B1HSD17B10
SCHEMBL10045663 0.88 TDP1 (0.42) TDP1L3MBTL1ALDH1A1CYP1B1HSD17B10
SCHEMBL14925857 0.87 GSTP1 (0.53) TDP1L3MBTL1ALDH1A1HIF1AGSTP1
SCHEMBL10045915 0.83 L3MBTL1 (0.49) TDP1L3MBTL1ALDH1A1CES1HPGD
SCHEMBL10045891 0.83 EDNRB (0.52) TDP1L3MBTL1ALDH1A1CES1MAPT
SCHEMBL22797160 0.80 TDP1 (0.54) TDP1L3MBTL1ALDH1A1CES1MAPT
SCHEMBL12177812 0.79 ALDH1A1 (0.40) TDP1ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL10045704 0.78 TYRO3 (0.56) TDP1L3MBTL1ALDH1A1CES1HPGD
SCHEMBL10045703 0.78 TYRO3 (0.56) TDP1L3MBTL1ALDH1A1CES1HPGD
SCHEMBL22797580 0.78 EDNRB (0.48) TDP1L3MBTL1ALDH1A1CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
WO-2012008558-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2012-01-19 WO disclosed