SCHEMBL5346629

SCHEMBL5346629

CC1(C)OCC(C(C)(C(=O)O)C2COC(C)(C)O2)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA2 P00918 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18341570 0.83 TMEM97 (0.33) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL18341572 0.83 TMEM97 (0.33) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL5349777 0.75 CA2 (0.34) CA2
SCHEMBL1487014 0.75 CA2 (0.34) CA2
SCHEMBL1487031 0.75 CA2 (0.34) CA2
SCHEMBL29288440 0.75 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL28792338 0.75
SCHEMBL9694546 0.73 L3MBTL1 (0.35) HCRTR1HCRTR2CA2
SCHEMBL9696056 0.73 L3MBTL1 (0.35) HCRTR1HCRTR2CA2
SCHEMBL2035953 0.73 CA2 (0.32) CA2

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-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO claimed