SCHEMBL23743005

SCHEMBL23743005

OC[C@H]1OC(O)[C@H](O)[C@@H](OCCCCCCCCOc2ccnc3cc(OCc4ccccc4)ccc23)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
CYP3A4 P08684 1/20 0.38
GRM4 Q14833 1/20 0.38
SLC6A2 P23975 1/20 0.36
TLR8 Q9NR97 1/20 0.35
SLC5A1 P13866 2/20 0.35
SLC5A2 P31639 2/20 0.35
P2RY14 Q15391 1/20 0.34
LGALS3 P17931 1/20 0.34
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
MAOA P21397 1/20 0.33
SLC29A1 Q99808 1/20 0.33

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
SCHEMBL23742951 0.84 SLC2A1 (0.49) SLC2A1
SCHEMBL23742978 0.78 MET (0.40) SLC2A1TLR8
SCHEMBL29214652 0.77 CYP3A4 (0.52) CYP3A4GRM4TLR8P2RY14PLAU
SCHEMBL23742908 0.76 SLC2A1 (0.47) SLC2A1CYP3A4SLC5A2LGALS3
SCHEMBL23743008 0.74 SLC2A1 (0.47) SLC2A1SLC5A2
SCHEMBL23743007 0.74 SLC2A1 (0.47) SLC2A1SLC5A2
SCHEMBL23742872 0.74 SLC2A1 (0.47) SLC2A1SLC5A2
SCHEMBL23742998 0.74 SLC2A1 (0.47) SLC2A1SLC5A2
SCHEMBL23743010 0.74 SLC2A1 (0.47) SLC2A1SLC5A2
SCHEMBL23742903 0.73 SLC2A1 (0.59) SLC2A1SLC6A2LGALS3

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-2021155748-A1 INHIBITORS OF MALARIAL AND PLASMODIUM FALCIPARUM HEXOSE TRANSPORTER AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2021-08-12 WO disclosed