SCHEMBL5319489

SCHEMBL5319489

C1CCC(NC2CCCCC2)CC1.CC1(C)OCC(C(O)C(F)(F)C(=O)O)O1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CCR2 P41597 2/20 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
SCHEMBL4157011 1.00 MAPK1 (0.36) MAPK1NPSR1MEN1GAAKMT2A
SCHEMBL14449048 0.87 HCRTR1 (0.32)
SCHEMBL756177 0.87 HCRTR1 (0.32)
SCHEMBL4087184 0.87 HCRTR1 (0.32)
SCHEMBL13697137 0.87 HCRTR1 (0.32)
SCHEMBL13696843 0.77 MMP9 (0.32)
SCHEMBL13696839 0.77 MMP9 (0.32)
SCHEMBL13696841 0.77 MMP9 (0.32)
SCHEMBL5315532 0.75 MMP9 (0.31)
SCHEMBL28442215 0.74 HCRTR1 (0.32)

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-2007092705-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-08-16 WO disclosed