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SCHEMBL16320900

SCHEMBL16320900

CC(=O)OC[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)OC(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.34
▸ MIF P14174 1/20 0.33
▸ HCRTR2 O43614 1/20 0.32
▸ CA2 P00918 1/20 0.30

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
SCHEMBL7260912 1.00 PDK1 (0.34) PDK1MIFHCRTR2CA2
SCHEMBL16365768 1.00 PDK1 (0.34) PDK1MIFHCRTR2CA2
SCHEMBL574108 1.00 PDK1 (0.34) PDK1MIFHCRTR2CA2
SCHEMBL19504070 0.91 ALDH1A1 (0.33) MIFHCRTR2
SCHEMBL22349347 0.89 ALDH1A1 (0.47) MIF
SCHEMBL6872581 0.87 MIF (0.33) MIFHCRTR2
SCHEMBL22349327 0.84 ALDH1A1 (0.40) —
SCHEMBL22043547 0.84 CYP1A2 (0.39) MIFHCRTR2
SCHEMBL9453175 0.84 MIF (0.34) MIFHCRTR2
SCHEMBL6125270 0.84 MIF (0.34) MIFHCRTR2

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
WO-2014203045-A1 A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE LUPIN LIMITED (IN) 2014-12-24 — — WO disclosed
WO-2014203045-A1 A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE LUPIN LIMITED (IN) 2014-12-24 — — WO disclosed