SCHEMBL18482846

SCHEMBL18482846

OCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ NT5E P21589 1/20 0.44
▸ GJB2 P29033 1/20 0.44
▸ TACR2 P21452 3/20 0.43
▸ SSTR4 P31391 2/20 0.43
▸ PTPN1 P18031 3/20 0.42
▸ CDC25B P30305 3/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41

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
SCHEMBL10400344 0.92 HTR1A (0.51) PDE4DHTR1ANT5EGJB2TACR2
SCHEMBL10352583 0.92 HTR1A (0.51) PDE4DHTR1ANT5EGJB2TACR2
SCHEMBL21657197 0.91 HTR1A (0.50) PDE4DHTR1ANT5ETACR2SSTR4
SCHEMBL21013403 0.89 SLC6A2 (0.53) PDE4DSLC6A2HTR1ANT5EGJB2
SCHEMBL21013113 0.85 GJB2 (0.54) SLC6A2HTR1ANT5EGJB2TACR2
SCHEMBL18483252 0.85 HTR1A (0.42) PDE4DSLC6A2HTR1ANT5EGJB2
SCHEMBL22710060 0.85 GJB2 (0.46) PDE4DSLC6A2HTR1ANT5EGJB2
SCHEMBL7151150 0.85 GJB2 (0.46) PDE4DSLC6A2HTR1ANT5EGJB2
SCHEMBL18929913 0.85 GJB2 (0.46) PDE4DSLC6A2HTR1ANT5EGJB2
SCHEMBL17626958 0.85 GJB2 (0.46) PDE4DSLC6A2HTR1ANT5EGJB2

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-3331893-B1 MANNOSE DERIVATIVES USEFUL FOR TREATING PATHOLOGIES ASSOCIATED WITH ADHERENT E. COLI ENTEROME (FR) 2019-05-22 — — EP disclosed
WO-2017021549-A1 MANNOSE DERIVATIVES USEFUL FOR TREATING PATHOLOGIES ASSOCIATED WITH ADHERENT E. COLI ENTEROME (FR) 2017-02-09 — — WO disclosed
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