SCHEMBL5315532

SCHEMBL5315532

CC1(C)OCC(C(O)C(F)(F)C(=O)ON(C2CCCCC2)C2CCCCC2)O1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 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
SCHEMBL13696839 0.76 MMP9 (0.32) MMP9MMP1MMP2MMP3MMP7
SCHEMBL13696841 0.76 MMP9 (0.32) MMP9MMP1MMP2MMP3MMP7
SCHEMBL13696843 0.76 MMP9 (0.32) MMP9MMP1MMP2MMP3MMP7
SCHEMBL4087184 0.75 HCRTR1 (0.32) MMP9MMP1MMP2MMP3MMP7
SCHEMBL13697137 0.75 HCRTR1 (0.32) MMP9MMP1MMP2MMP3MMP7
SCHEMBL14449048 0.75 HCRTR1 (0.32) MMP9MMP1MMP2MMP3MMP7
SCHEMBL756177 0.75 HCRTR1 (0.32) MMP9MMP1MMP2MMP3MMP7
SCHEMBL5319489 0.75 MAPK1 (0.36)
SCHEMBL4157011 0.75 MAPK1 (0.36)
SCHEMBL10048610 0.75 MAPT (0.36) MMP9MMP1MMP2MMP3MMP7

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