SCHEMBL10045895

SCHEMBL10045895

CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C(=O)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3CC4)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CES1 P23141 1/20 0.39
▸ MET P08581 1/20 0.36
▸ PLIN1 O60240 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PLIN5 Q00G26 1/20 0.35
▸ ABHD5 Q8WTS1 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ EDNRB P24530 2/20 0.34
▸ EDNRA P25101 2/20 0.34
▸ PGR P06401 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ PTPRC P08575 1/20 0.33

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
SCHEMBL14702096 0.88 PTPRC (0.38) TDP1L3MBTL1ALDH1A1MAPTTYMS
SCHEMBL16801955 0.86 BRD4 (0.38) TDP1L3MBTL1CES1TYMSPGR
SCHEMBL10045894 0.84 TDP1 (0.44) TDP1L3MBTL1CES1METPLIN1
SCHEMBL14925859 0.84 L3MBTL1 (0.46) TDP1L3MBTL1CES1METPLIN1
SCHEMBL14925861 0.83 L3MBTL1 (0.43) TDP1L3MBTL1CES1METPLIN1
SCHEMBL10045919 0.83 L3MBTL1 (0.45) TDP1L3MBTL1CES1METMAPT
SCHEMBL10045642 0.77 L3MBTL1 (0.47) TDP1L3MBTL1CES1METALDH1A1
SCHEMBL14925855 0.76 L3MBTL1 (0.50) TDP1L3MBTL1CES1METMAPT
SCHEMBL17870847 0.75 PGR (0.35) PGRPDK2MAOBGRIA1CACNG8
SCHEMBL10045913 0.75 TDP1 (0.50) TDP1L3MBTL1CES1ALDH1A1MAPT

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
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