SCHEMBL11259005

SCHEMBL11259005

CCCCCCCCCCCOCOC(C)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
LPAR1 Q92633 9/20 0.41
LPAR3 Q9UBY5 9/20 0.41
LPAR2 Q9HBW0 4/20 0.41
LPAR6 P43657 3/20 0.41
LPAR4 Q99677 3/20 0.41
LPAR5 Q9H1C0 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL683435 0.84 HTT (0.50) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL3502859 0.83 DNM1 (0.48) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4580487 0.83 DNM1 (0.48) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL27629301 0.83 DNM1 (0.48) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL9422919 0.82 MEN1 (0.35) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL24083149 0.81 HTT (0.45) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL15159038 0.81 HTT (0.45) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL15160848 0.81 DNM1 (0.45) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL723665 0.79 HTT (0.41) LPAR1LPAR3LPAR2HTTMEN1
SCHEMBL9422997 0.78 TSHR (0.36) LPAR1LPAR3

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
EP-0012622-B1 1-TOSLOXY-2,2-ETHYLENEDIOXY-6,10-DIMETHYL UNDECANES AND UNDECENES, PROCESS FOR THE PREPARATION OF 2S*,3R*-3-BENZYLOXY-6,6-ETHYLENE DIOXY-2-METHYL-2-(5'-HYDROXY-4'-METHYLPENTYL)-OXEPANE, AND USE OF THE LATTER FOR THE PREPARATION OF OXEPAN-3-OL DERIVATIVES ORTHO PHARMACEUTICAL CORPORATION (US) 1982-12-15 EP disclosed