SCHEMBL13458030

SCHEMBL13458030

C#CCCCO[C@@H]1OC2COC(C)(C)O[C@H]2C(OCCCC)C1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ YWHAZ P63104 2/20 0.32
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL13458032 0.86 ALDH1A1 (0.31) CA1CA2CA9
SCHEMBL12411312 0.86 L3MBTL1 (0.36) YWHAZ
SCHEMBL15483274 0.78 ALDH1A1 (0.37) YWHAZ
SCHEMBL4198168 0.78 GBA1 (0.36) YWHAZ
SCHEMBL28274791 0.78 MAPK1 (0.38) YWHAZ
SCHEMBL28274780 0.78 MAPK1 (0.38) YWHAZ
SCHEMBL28276199 0.78 MAPK1 (0.38) YWHAZ
SCHEMBL28276205 0.78 MAPK1 (0.38) YWHAZ
SCHEMBL15892310 0.75 CA2 (0.34) LMNACYP1A2THPOCA1CA2
SCHEMBL28274795 0.75 YWHAZ (0.37) YWHAZCA1CA2CA9

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
WO-2010029185-A1 OLIGOSACCHARIDE COMPOUNDS FOR USE IN MOBILISING STEM CELLS ENDOTIS PHARMA (FR) 2010-03-18 — — WO disclosed
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