SCHEMBL8639413

SCHEMBL8639413

CCCCCOC(=O)C(=O)CCCCC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.58
CES1 P23141 5/20 0.58
FAAH O00519 2/20 0.58
TSHR P16473 2/20 0.57
NAAA Q02083 1/20 0.52
DGKA P23743 1/20 0.52
RAD52 P43351 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL10882394 0.98 FAAH (0.61) CES2CES1FAAHTSHRNAAA
SCHEMBL9002877 0.98 FAAH (0.61) CES2CES1FAAHTSHRNAAA
SCHEMBL9002350 0.98 FAAH (0.61) CES2CES1FAAHTSHRNAAA
SCHEMBL10879340 0.96 FAAH (0.59) CES2CES1FAAHTSHRNAAA
SCHEMBL10879023 0.96 FAAH (0.59) CES2CES1FAAHTSHRNAAA
SCHEMBL10881373 0.96 FAAH (0.59) CES2CES1FAAHTSHRNAAA
SCHEMBL10878913 0.96 FAAH (0.59) CES2CES1FAAHTSHRNAAA
SCHEMBL3014435 0.96 CES2 (0.58) CES2CES1FAAHTSHRNAAA
SCHEMBL8167954 0.94 FAAH (0.61) CES2CES1FAAHTSHRNAAA
SCHEMBL9340088 0.94 FAAH (0.61) CES2CES1FAAHTSHRNAAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10156187-A None JP disclosed
CN-102264226-B Bicyclooctane-1, the 3-derovatives of phenyl-replacement BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 CN disclosed
CN-102264226-A Phenyl-substituted bicyclooctane-1,3-dione derivatives 2011-11-30 CN disclosed
CN-1890319-A Polyacetal resin composition POLYPLASTICS CO (JP) 2007-01-03 CN disclosed
JP-H10156187-A CATALYST FOR DE-CARBONYLATION REACTION UBE IND LTD 1998-06-16 JP disclosed