SCHEMBL9937688

SCHEMBL9937688

Cc1ccc(C(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(-c4ccccc4)c3)[C@@H](O)[C@@H]2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HK1 P19367 13/20 0.69
HK2 P52789 13/20 0.69
GCK P35557 1/20 0.59
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL9937695 1.00 HK1 (0.69) HK1HK2GCKPOLBLMNA
SCHEMBL9971331 0.87 HK1 (0.73) HK1HK2GCK
SCHEMBL9937801 0.86 HK1 (0.52) HK1HK2GCKPOLBLMNA
SCHEMBL9937795 0.84 HK1 (0.49) HK1HK2GCK
SCHEMBL9937441 0.79 HK1 (1.00) HK1HK2GCK
SCHEMBL9937446 0.79 HK1 (1.00) HK1HK2GCK
SCHEMBL9938769 0.78 HK1 (0.60) HK1HK2GCKEPHX2NR1H4
SCHEMBL9938774 0.78 HK1 (0.60) HK1HK2GCKEPHX2NR1H4
SCHEMBL9938423 0.76 HK2 (0.80) HK1HK2GCK
SCHEMBL9938427 0.76 HK2 (0.80) HK1HK2GCK

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-2012083145-A1 GLUCOSAMINE DERIVATIVES GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-06-21 WO disclosed