SCHEMBL4856643

SCHEMBL4856643

O=C1CCCCCOC(=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.68
CA9 Q16790 1/20 0.68
TRIM24 O15164 2/20 0.52
TRIM33 Q9UPN9 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
FKBP4 Q02790 3/20 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
SCHEMBL5243566 0.93 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL13317121 0.93 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL2324675 0.93 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL15141411 0.93 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
Cycloheptanone SCHEMBL28237516 0.93 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL17515063 0.93 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL30742652 0.90 CA1 (0.84) CA1CA9TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL9561320 0.88 CA1 (0.71) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL2562226 0.88 CA1 (0.71) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL2348331 0.88 CA1 (0.71) CA1CA9TRIM24TRIM33ALDH1A1

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-2008528252-A 2008-07-31 JP claimed
EP-1838438-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME Total France (FR) 2007-10-03 EP claimed
WO-2006077326-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME TOTAL FRANCE (FR) 2006-07-27 WO claimed
EP-1838438-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME Total France (FR) 2007-10-03 EP disclosed
WO-2006077326-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME TOTAL FRANCE (FR) 2006-07-27 WO disclosed