SCHEMBL7871326

SCHEMBL7871326

C=CCO[C@H]1[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](OC)O[C@@H]2COCc2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.45
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44
▸ PTPN1 P18031 10/20 0.44
▸ PTPN2 P17706 6/20 0.44
▸ GJB2 P29033 2/20 0.41
▸ PTPN11 Q06124 3/20 0.41
▸ TACR2 P21452 2/20 0.41
▸ CDC25B P30305 5/20 0.40
▸ PTPN6 P29350 2/20 0.38
▸ LGALS8 O00214 1/20 0.38

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
SCHEMBL7871322 1.00 NT5E (0.45) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7766877 0.88 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7766872 0.88 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL22677782 0.87 NT5E (0.49) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL10607794 0.84 SSTR1 (0.58) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL8992046 0.84 SSTR1 (0.58) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL8992050 0.84 SSTR1 (0.58) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL976471 0.83 NT5E (0.51) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL976473 0.83 NT5E (0.51) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL9149779 0.82 NT5E (0.47) NT5ESSTR1SSTR2SSTR4SSTR3

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
US-6310043-B1 USING COMPOUNDS WHICH BIND TO TOXINS ASSOCIATED WITH ENTERIC BACTERIAL INFECTION INCLUDING PENTAMERIC TOXINS, FOR EXAMPLE SLTS, SUCH AS THOSE FROM SALMONELLA, CAMYLOBACTER, E-COLI GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2001-10-30 — — US disclosed
US-5962423-A Treatment of bacterial dysentery THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1999-10-05 — — US disclosed
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