SCHEMBL16984009

SCHEMBL16984009

CCC(C)(C)OC(=O)c1ccc(C(=O)Oc2ccc(C3(c4ccc(C(C)(C)CC)cc4)CC(C)CCC(C)(C)C3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.35
▸ HRH3 Q9Y5N1 12/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ ACR P10323 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
SCHEMBL19414437 0.92 ESR1 (0.41) TDP1HRH3ADORA3MAPTL3MBTL1
SCHEMBL19414621 0.92 NPC1 (0.34) TDP1HRH3ADORA3MAPTL3MBTL1
SCHEMBL16984005 0.88 CNR2 (0.31) TDP1MAPTL3MBTL1ESR1ESR2
SCHEMBL16983800 0.86 ESR1 (0.39) TDP1ADORA3MAPTL3MBTL1ESR1
SCHEMBL16983808 0.84 ESR1 (0.38) TDP1MAPTL3MBTL1ESR1ESR2
SCHEMBL16983807 0.84 NPC1 (0.39) TDP1HRH3ADORA3MAPTL3MBTL1
SCHEMBL19414761 0.82 TDP1 (0.46) TDP1HRH3MAPTL3MBTL1ESR1
SCHEMBL16983805 0.80 ESR1 (0.37) TDP1MAPTL3MBTL1ESR1ESR2
SCHEMBL19414622 0.79 — —
SCHEMBL19414632 0.79 ADORA3 (0.48) TDP1HRH3ADORA3MAPTL3MBTL1

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-9778581-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-10-03 — — US disclosed
US-20150220007-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-08-06 — — US disclosed
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