SCHEMBL13039747

SCHEMBL13039747

CCC(COC)OC(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.33
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 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
SCHEMBL1818354 0.84
SCHEMBL8048476 0.83 AR (0.31)
SCHEMBL1469728 0.82 ACACB (0.38) ACACBLPAR6LPAR1LPAR4LPAR5
SCHEMBL5484842 0.80 MEN1 (0.35) ACACBLPAR6LPAR1LPAR4LPAR5
SCHEMBL1469110 0.80 ACACB (0.40) ACACBLPAR6LPAR1LPAR4LPAR5
SCHEMBL4567273 0.80 PRKCA (0.42) ACACBMEN1KMT2APRKCA
SCHEMBL13017848 0.78 MEN1 (0.42) ACACBLPAR6LPAR1LPAR4LPAR5
SCHEMBL26399931 0.77
SCHEMBL5017987 0.76 PRKCA (0.46) CTSKPRKCAPRKCD
SCHEMBL15503246 0.75 PRKCA (0.56) ACACBLPAR6LPAR1LPAR4LPAR5

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-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed