SCHEMBL23743008

SCHEMBL23743008

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
SLC5A2 P31639 1/20 0.42
MCL1 Q07820 1/20 0.39
CD209 Q9NNX6 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP2D6 P10635 1/20 0.37
HSPA5 P11021 1/20 0.37
HSPA8 P11142 1/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.35

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
SCHEMBL23743010 1.00 SLC2A1 (0.47) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23742872 1.00 SLC2A1 (0.47) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23742998 1.00 SLC2A1 (0.47) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23743007 1.00 SLC2A1 (0.47) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23742913 0.93 SLC5A2 (0.43) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23742933 0.93 SLC5A2 (0.43) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23742906 0.92 SLC5A2 (0.42) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23742908 0.92 SLC2A1 (0.47) SLC2A1SLC5A2CD209HDAC3HDAC4
SCHEMBL23742958 0.91 SLC2A1 (0.39) SLC2A1SLC5A2MCL1CD209PPARG
SCHEMBL23742899 0.87 SLC2A1 (0.53) SLC2A1CD209LMNARAB9ANPC1

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
CN-115427049-A Inhibitors of malaria and plasmodium falciparum hexose transporters and uses thereof 清华大学 2022-12-02 CN disclosed
WO-2021155748-A1 INHIBITORS OF MALARIAL AND PLASMODIUM FALCIPARUM HEXOSE TRANSPORTER AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2021-08-12 WO disclosed