SCHEMBL23742913

SCHEMBL23742913

OC[C@H]1OC(O)[C@H](OCCCCCCCCOc2ccc3ncccc3c2)[C@@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.43
CD209 Q9NNX6 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC2A1 P11166 1/20 0.39
MCL1 Q07820 1/20 0.39
HSPA5 P11021 1/20 0.38
HSPA8 P11142 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP2D6 P10635 1/20 0.36
NRAS P01111 1/20 0.36
KRAS P01116 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL23742933 1.00 SLC5A2 (0.43) SLC5A2CD209PPARGPPARASLC2A1
SCHEMBL23743008 0.93 SLC2A1 (0.47) SLC5A2CD209PPARGPPARASLC2A1
SCHEMBL23742906 0.93 SLC5A2 (0.42) SLC5A2CD209PPARGPPARASLC2A1
SCHEMBL23743010 0.93 SLC2A1 (0.47) SLC5A2CD209PPARGPPARASLC2A1
SCHEMBL23743007 0.93 SLC2A1 (0.47) SLC5A2CD209PPARGPPARASLC2A1
SCHEMBL23742872 0.93 SLC2A1 (0.47) SLC5A2CD209PPARGPPARASLC2A1
SCHEMBL23742998 0.93 SLC2A1 (0.47) SLC5A2CD209PPARGPPARASLC2A1
SCHEMBL23742968 0.88 CD209 (0.50) SLC5A2CD209
SCHEMBL23743029 0.84 SLC2A1 (0.38) SLC5A2CD209SLC2A1NRASKRAS
SCHEMBL23742908 0.84 SLC2A1 (0.47) SLC5A2CD209SLC2A1

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