SCHEMBL16984010

SCHEMBL16984010

CCC(C)(C)c1ccc(C2(c3ccc(OC(=O)c4ccc(C(=O)OC(C)(C)C)cc4)cc3)CCCC(C)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ HRH3 Q9Y5N1 17/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAOB P27338 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13867905 0.91 ADORA3 (0.52) ADORA3HRH3TDP1MAOBMAPT
SCHEMBL19414450 0.90 TDP1 (0.48) ADORA3HRH3TDP1MAOBMAPT
SCHEMBL16984012 0.82 MAPT (0.46) ADORA3HRH3TDP1MAPTL3MBTL1
SCHEMBL19414632 0.81 ADORA3 (0.48) ADORA3HRH3TDP1MAPTL3MBTL1
SCHEMBL19414451 0.79 OPRD1 (0.35) ADORA3HRH3TDP1MAPTL3MBTL1
SCHEMBL16984009 0.78 TDP1 (0.35) ADORA3HRH3TDP1MAOBMAPT
SCHEMBL19414452 0.78 CNR2 (0.37) ADORA3HRH3TDP1MAPTL3MBTL1
SCHEMBL16983807 0.77 NPC1 (0.39) ADORA3HRH3TDP1MAOBMAPT
SCHEMBL19414437 0.76 ESR1 (0.41) ADORA3HRH3TDP1MAOBMAPT
SCHEMBL16984013 0.76 MAPT (0.42) ADORA3HRH3TDP1MAPTL3MBTL1

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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