SCHEMBL12352822

SCHEMBL12352822

CCCC(C)(C)OC(=O)c1ccc(C(=O)Oc2ccc(C3(c4ccc(OC(C)(C)CC)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.55
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ ELANE P08246 1/20 0.36
▸ LMNA P02545 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ ACR P10323 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ RARA P10276 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
SCHEMBL14817468 0.92 ADORA3 (0.50) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL13168810 0.86 ADORA3 (0.55) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL10046812 0.86 ADORA3 (0.60) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL12473086 0.85 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL12472031 0.83 ADORA3 (0.54) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL21318616 0.83 ADORA3 (0.54) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL22244085 0.82 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL253891 0.82 ADORA3 (0.47) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL18827752 0.82 ADORA3 (0.49) ADORA3SLC6A2SLC6A4SLC6A3ELANE
SCHEMBL19414632 0.81 ADORA3 (0.48) ADORA3SLC6A2SLC6A4SLC6A3TDP1

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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