SCHEMBL6544815

SCHEMBL6544815

CO[C@H]1[C@H](F)[C@@H](O)O[C@@H]1COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.43
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ TACR2 P21452 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ HSPA5 P11021 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ CDC25B P30305 2/20 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
SCHEMBL18636425 0.88 PDE2A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16756817 0.88 PDE2A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16756820 0.88 PDE2A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17039975 0.88 PDE2A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL29711813 0.88 PDE2A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL24371602 0.88 PDE2A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL4615596 0.86 HTR1A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL29410621 0.86 HTR1A (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16389629 0.85 SLC6A2 (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL264661 0.84 SSTR1 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3

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-1373288-A1 PROCESS FOR THE PREPARATION OF 2'-HALO-BETA-L-ARABINOFURANOSYL NUCLEOSIDES Triangle Pharmaceuticals Inc. (US) 2004-01-02 — — EP disclosed
WO-2002079213-A1 PROCESS FOR THE PREPARATION OF 2'-HALO-$G(B)-L-ARABINOFURANOSYL NUCLEOSIDES TRIANGLE PHARMACEUTICALS, INC. (US) 2002-10-10 — — WO disclosed
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