Demannose

Demannose

SCHEMBL529006

O=C(O)CNC(=O)c1ccc(O)cc1.O=C(O)CNC(=O)c1cccc(O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
PTPRC P08575 2/20 0.40
CTSL P07711 1/20 0.40
PTPN13 Q12923 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGLN2 Q96KS0 1/20 0.36
ATM Q13315 1/20 0.36
PLA2G10 O15496 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
PDE5A O76074 1/20 0.35
IDO1 P14902 1/20 0.34
OPRM1 P35372 1/20 0.34

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
Gluconic Acid SCHEMBL28056864 0.81 PDE4A (0.44) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL529005 0.78 KDM4E (0.36) KDM4EPTPRCALDH1A1EGLN2MAPK1
Demannose SCHEMBL27695581 0.76 LMNA (0.40) KDM4EHIF1AALDH1A1CA1CA2
SCHEMBL29395845 0.76 KDM4E (0.62) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL600772 0.76 KDM4E (0.62) KDM4EMAPTHIF1ASLC22A6SLC22A8
Demannose SCHEMBL4801479 0.75 CA2 (0.48) KDM4EMAPTALDH1A1CA1CA2
Demannose SCHEMBL27735211 0.75 TDP1 (0.38) KDM4EMAPTCA1CA2
SCHEMBL29238224 0.75 KDM4E (0.61) KDM4EMAPTHIF1ASLC22A6SLC22A8
Demannose SCHEMBL3515070 0.75 TDP1 (0.38) KDM4EMAPTCA1CA2
Demannose SCHEMBL1996276 0.74 LMNA (0.42) KDM4EMAPTHIF1AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598873-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2013-06-05 EP disclosed
WO-2012015904-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2012-02-02 WO disclosed