SCHEMBL4740208

SCHEMBL4740208

OC[C@H]1OC(Oc2cc(-c3[o+]c4cc(O)cc(OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4cc3OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.89
DPP4 P27487 1/20 0.79
CD38 P28907 1/20 0.79
SLC28A3 Q9HAS3 4/20 0.47
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TYR P14679 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SLC5A1 P13866 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC28A2 O43868 1/20 0.44
SLC5A2 P31639 1/20 0.44

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
SCHEMBL317322 0.94 F2 (0.82) F2DPP4CD38SLC28A3EPHX2
SCHEMBL29530365 0.94 F2 (0.82) F2DPP4CD38SLC28A3EPHX2
Cyanin SCHEMBL9234904 0.94 F2 (1.00) F2DPP4CD38SLC28A3EPHX2
Cyanin SCHEMBL29453487 0.94 F2 (1.00) F2DPP4CD38SLC28A3EPHX2
SCHEMBL6139043 0.94 F2 (1.00) F2DPP4CD38SLC28A3EPHX2
Cyanin SCHEMBL31019317 0.94 F2 (1.00) F2DPP4CD38SLC28A3EPHX2
Cyanin SCHEMBL349836 0.94 F2 (1.00) F2DPP4CD38SLC28A3EPHX2
Cyanin SCHEMBL6138846 0.94 F2 (1.00) F2DPP4CD38SLC28A3EPHX2
Cyanin SCHEMBL6139364 0.94 F2 (1.00) F2DPP4CD38SLC28A3EPHX2
SCHEMBL31090366 0.94 CD38 (0.89) F2DPP4CD38SLC28A3EPHX2

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-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 WO disclosed