SCHEMBL4196205

SCHEMBL4196205

COCCCOc1cc(/C=C(/CO)C(C)C)cnc1OC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.33
TENT4A Q5XG87 1/20 0.33
TENT4B Q8NDF8 1/20 0.33
TUBB1 Q9H4B7 2/20 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
SCHEMBL4187233 0.81 CYP2B6 (0.38) CYP2B6TENT4ATENT4B
SCHEMBL221117 0.81 TUBB1 (0.49) TUBB1
SCHEMBL2848457 0.81 TUBB1 (0.49) TUBB1
SCHEMBL4970456 0.78 MEN1 (0.37) CYP2B6TENT4ATENT4B
SCHEMBL4196189 0.76 FDPS (0.47)
SCHEMBL14079852 0.74 NPC1 (0.39) CYP2B6TENT4ATENT4B
SCHEMBL27200114 0.73 RET (0.34) CYP2B6TENT4ATENT4B
SCHEMBL29714684 0.72 CYP2B6 (0.37) CYP2B6TENT4ATENT4B
SCHEMBL21327180 0.72 CYP2B6 (0.37) CYP2B6TENT4ATENT4B
SCHEMBL14080322 0.71 L3MBTL1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008113835-A9 PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE SPEEDEL EXPERIMENTA AG (CH) 2009-02-19 WO disclosed
WO-2008113835-A1 PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE NOVARTIS AG (CH) 2008-09-25 WO disclosed
WO-2008113835-A1 PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE NOVARTIS AG (CH) 2008-09-25 WO disclosed
WO-2008113835-A1 PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE NOVARTIS AG (CH) 2008-09-25 WO disclosed