SCHEMBL14817452

SCHEMBL14817452

CCCC(C)(C)Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(=O)C(C)(C)C)c4)cc3)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.47
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ MDH1 P40925 1/20 0.34
▸ MDH2 P40926 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ TP53 P04637 1/20 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
SCHEMBL12352776 0.93 ADORA3 (0.46) ADORA3SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL253891 0.89 ADORA3 (0.47) ADORA3SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL13168810 0.88 ADORA3 (0.55) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL14817446 0.82 MAPT (0.42) MDH1MDH2MAPTTDP1KMT2A
SCHEMBL15084063 0.80 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10046812 0.79 ADORA3 (0.60) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12352822 0.79 ADORA3 (0.55) ADORA3SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL13328173 0.78 ADORA3 (0.55) ADORA3SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL14817468 0.78 ADORA3 (0.50) ADORA3SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL10030680 0.77 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3OPRM1

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-8404414-B2 Electrophotographic photoconductor and manufacturing method thereof FUJI ELECTRIC CO., LTD. (JP) 2013-03-26 — — US disclosed
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