SCHEMBL18827752

SCHEMBL18827752

CCC(C)(C)OC(=O)c1ccc(Oc2ccc(C(=O)Oc3ccc(C4(c5ccc(C(C)(CC)CC)cc5)CCCCC4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.49
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ PRSS1 P07477 2/20 0.35
▸ ACR P10323 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 5/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ RARA P10276 2/20 0.32

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
SCHEMBL19414632 0.93 ADORA3 (0.48) ADORA3MAPTTDP1L3MBTL1SLC6A2
SCHEMBL13867905 0.82 ADORA3 (0.52) ADORA3MAPTTDP1L3MBTL1SLC6A2
SCHEMBL16984006 0.82 ADORA3 (0.36) ADORA3MAPTTDP1L3MBTL1PRSS1
SCHEMBL12352822 0.82 ADORA3 (0.55) ADORA3MAPTTDP1L3MBTL1SLC6A2
SCHEMBL12472031 0.81 ADORA3 (0.54) ADORA3MAPTTDP1L3MBTL1SLC6A2
SCHEMBL16984011 0.79 ADORA3 (0.38) ADORA3MAPTTDP1L3MBTL1PRSS1
SCHEMBL16983807 0.79 NPC1 (0.39) ADORA3MAPTTDP1L3MBTL1PRSS1
SCHEMBL10046812 0.78 ADORA3 (0.60) ADORA3MAPTTDP1L3MBTL1SLC6A2
SCHEMBL12473086 0.77 ADORA3 (0.57) ADORA3MAPTTDP1L3MBTL1SLC6A2
SCHEMBL12199955 0.76 ADORA3 (0.53) ADORA3MAPTTDP1SLC6A2SLC6A4

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-9645516-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-05-09 — — US disclosed
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