SCHEMBL30105320

SCHEMBL30105320

BrCCCCCCCCO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 6/20 0.60
▸ SSTR2 P30874 6/20 0.60
▸ SSTR4 P31391 6/20 0.60
▸ SSTR3 P32745 6/20 0.60
▸ SSTR5 P35346 6/20 0.60
▸ ADRB2 P07550 1/20 0.51
▸ TACR1 P25103 1/20 0.51
▸ PTPN1 P18031 6/20 0.50
▸ CDC25B P30305 6/20 0.50
▸ PTPN2 P17706 2/20 0.50
▸ PTPN6 P29350 2/20 0.50
▸ PTPN11 Q06124 2/20 0.50
▸ NT5E P21589 1/20 0.50
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48

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
SCHEMBL23742876 1.00 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL23742999 0.94 SSTR4 (0.67) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL30105255 0.94 SSTR4 (0.67) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14519966 0.93 SSTR1 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7594539 0.93 SSTR1 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10601965 0.88 SSTR1 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7151054 0.88 SSTR1 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL977853 0.88 SSTR1 (0.59) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6809789 0.88 SSTR1 (0.59) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6544934 0.88 SSTR1 (0.59) SSTR1SSTR2SSTR4SSTR3SSTR5

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-B Inhibitors of malaria and plasmodium falciparum hexose transporters and uses thereof 清华大学 2024-09-06 — — CN disclosed
CN-115427049-A Inhibitors of malaria and plasmodium falciparum hexose transporters and uses thereof 清华大学 2022-12-02 — — CN disclosed
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