SCHEMBL7106845

SCHEMBL7106845

CCCCCCCCCCC[C@H](CC(=O)C(CCCCCC)C(=O)OCC)O[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.36
GPR84 Q9NQS5 7/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL27552552 1.00 ZDHHC7 (0.36) ZDHHC7GPR84TDP1MEN1KMT2A
SCHEMBL7101909 0.89 ZDHHC7 (0.45) ZDHHC7GPR84FFAR1FFAR4
SCHEMBL27574737 0.89 ZDHHC7 (0.45) ZDHHC7GPR84FFAR1FFAR4
SCHEMBL7101825 0.87 GPR84 (0.42) GPR84TDP1MEN1KMT2AMAPT
SCHEMBL11967106 0.86 ZDHHC7 (0.34) ZDHHC7GPR84TDP1MEN1KMT2A
SCHEMBL7108501 0.81 GPR84 (0.39) GPR84MAPTFFAR1FFAR4
SCHEMBL27506299 0.78 GPR84 (0.54) ZDHHC7GPR84MEN1KMT2AFFAR1
SCHEMBL7101917 0.78 GPR84 (0.54) ZDHHC7GPR84MEN1KMT2AFFAR1
SCHEMBL7103007 0.77 GPR84 (0.53) GPR84MEN1KMT2AMAPTFFAR1
SCHEMBL7103003 0.77 GPR84 (0.53) GPR84MEN1KMT2AMAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127886-B1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one HOFFMANN LA ROCHE (CH) 2003-05-07 EP claimed
CN-1319596-A Synthesis of 3,6-dialkyl 5,6-dihydro-4-hydroxide-2H-pyran-2-ketone HOFFMANN LA ROCHE (CH) 2001-10-31 CN disclosed