SCHEMBL253891

SCHEMBL253891

CCCC(C)(C)C(=O)c1cccc(C(=O)Oc2ccc(C3(c4ccc(OC(C)(C)CC)cc4)CCCCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.47
▸ ELANE P08246 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ MDH1 P40925 1/20 0.33
▸ MDH2 P40926 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ KMT2A Q03164 3/20 0.30
▸ LMNA P02545 1/20 0.30

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 0.95 ADORA3 (0.46) ADORA3ELANEGAANPSR1SLC6A2
SCHEMBL14817452 0.89 ADORA3 (0.47) ADORA3ELANEGAANPSR1SLC6A2
SCHEMBL10046812 0.84 ADORA3 (0.60) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL253736 0.84 PPARA (0.42) ADORA3NPSR1ESR1ESR2PPARA
SCHEMBL12352722 0.83 TDP1 (0.41) ELANEGAANPSR1MDH1MDH2
SCHEMBL12473086 0.83 ADORA3 (0.57) ADORA3ELANENPSR1SLC6A2SLC6A4
SCHEMBL13168810 0.82 ADORA3 (0.55) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL22244085 0.82 ADORA3 (0.57) ADORA3ELANESLC6A2SLC6A4SLC6A3
SCHEMBL12352822 0.82 ADORA3 (0.55) ADORA3ELANENPSR1SLC6A2SLC6A4
SCHEMBL12472031 0.81 ADORA3 (0.54) ADORA3ELANENPSR1SLC6A2SLC6A4

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-20120058422-A1 PHOTORECEPTOR FOR ELECTROPHOTOGRAPHY, PROCESS FOR PRODUCING THE SAME, AND ELECTROPHOTOGRAPHIC APPARATUS FUJI ELECTRIC CO., LTD (JP) 2012-03-08 — — US disclosed
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