SCHEMBL21697646

SCHEMBL21697646

COc1cc(OCc2ccccc2)c([C@@H]2O[C@H](COCc3ccccc3)C[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Cc1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 7/20 0.40
SLC5A1 P13866 5/20 0.40
SSTR1 P30872 2/20 0.35
SSTR2 P30874 2/20 0.35
SSTR4 P31391 2/20 0.35
SSTR3 P32745 2/20 0.35
SSTR5 P35346 2/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CHRNA7 P36544 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GJB2 P29033 1/20 0.30

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
SCHEMBL21697613 0.92 SSTR1 (0.36) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697623 0.90 SLC5A2 (0.37) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697600 0.90 SLC5A2 (0.41) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697642 0.90 SSTR1 (0.37) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697577 0.85 SSTR1 (0.34) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697647 0.85 SSTR1 (0.36) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL20741834 0.85 SLC5A2 (0.42) SLC5A2SLC5A1SSTR4
SCHEMBL21697562 0.84 SSTR1 (0.33) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697591 0.84 PTGER1 (0.33) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL16018673 0.84 SLC5A2 (0.41) SLC5A2SLC5A1SSTR1SSTR2SSTR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed