SCHEMBL12352776

SCHEMBL12352776

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ ELANE P08246 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ MDH1 P40925 1/20 0.34
▸ MDH2 P40926 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ LMNA P02545 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
SCHEMBL253891 0.95 ADORA3 (0.47) ADORA3ELANEGAANPSR1SLC6A2
SCHEMBL14817452 0.93 ADORA3 (0.47) ADORA3ELANEGAANPSR1SLC6A2
SCHEMBL13168810 0.87 ADORA3 (0.55) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL19805253 0.83 MAPT (0.42) ELANEGAANPSR1MDH1MDH2
SCHEMBL13328173 0.82 ADORA3 (0.55) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL15084063 0.79 ADORA3 (0.57) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL253736 0.79 PPARA (0.42) ADORA3NPSR1ESR1ESR2PPARA
SCHEMBL10030680 0.79 ADORA3 (0.57) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL10046812 0.79 ADORA3 (0.60) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL12352696 0.79 MAPT (0.40) ELANEMDH1MDH2TDP1MAPT

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-20110189603-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND MANUFACTURING METHOD THEREOF FUJI ELECTRIC SYSTEMS CO., LTD. (JP) 2011-08-04 — — US disclosed
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