SCHEMBL31070837

SCHEMBL31070837

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NR1H2 P55055 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
SCHEMBL4015355 1.00 MIF (0.33) MIFALDH1A1KDM4ENR1H2
SCHEMBL15887309 1.00 MIF (0.33) MIFALDH1A1KDM4ENR1H2
SCHEMBL15887303 0.89 MIF (0.33) MIFALDH1A1
SCHEMBL21097947 0.89 MIF (0.33) MIFALDH1A1
SCHEMBL21063460 0.89 MIF (0.33) MIF
SCHEMBL7720760 0.88 MIF (0.34) MIFNR1H2
SCHEMBL5728730 0.88 MIF (0.34) MIFNR1H2
SCHEMBL247199 0.88 MIF (0.34) MIFNR1H2
SCHEMBL9453175 0.88 MIF (0.34) MIFNR1H2
SCHEMBL12238538 0.87 MIF (0.35) MIF

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
CN-118515672-A Medicine with microcirculation improving effect and preparation method thereof 南京医科大学 2024-08-20 CN disclosed