SCHEMBL19414451

SCHEMBL19414451

CCCC(C)(C)OC(=O)c1cccc(C(=O)Oc2ccc(C3(c4ccc(C(C)(C)CCC)cc4)CCCC(C)CCC3)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CNR2 P34972 5/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HRH3 Q9Y5N1 5/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL16984013 0.94 MAPT (0.42) OPRD1OPRK1OPRM1MAPTTDP1
SCHEMBL19414452 0.93 CNR2 (0.37) OPRD1OPRK1OPRM1MAPTTDP1
SCHEMBL16984012 0.88 MAPT (0.46) MAPTTDP1L3MBTL1ADORA3ALDH1A1
SCHEMBL16983805 0.81 ESR1 (0.37) MAPTTDP1L3MBTL1CNR2NPC1
SCHEMBL19414450 0.81 TDP1 (0.48) MAPTTDP1L3MBTL1ADORA3NPC1
SCHEMBL16984011 0.80 ADORA3 (0.38) MAPTTDP1L3MBTL1ADORA3CNR2
SCHEMBL16984010 0.79 ADORA3 (0.43) MAPTTDP1L3MBTL1ADORA3HRH3
SCHEMBL16984005 0.77 CNR2 (0.31) MAPTTDP1L3MBTL1CNR2
SCHEMBL16979802 0.75 KMT2A (0.43) MAPTTDP1ALDH1A1GAANPSR1
SCHEMBL14817452 0.75 ADORA3 (0.47) OPRD1OPRK1OPRM1MAPTTDP1

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 1 patent. 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
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