SCHEMBL21697600

SCHEMBL21697600

Clc1cc(OCc2ccccc2)c([C@@H]2O[C@H](COCc3ccccc3)C[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1Cc1cc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 11/20 0.41
SLC5A1 P13866 8/20 0.41
SSTR1 P30872 2/20 0.36
SSTR2 P30874 2/20 0.36
SSTR4 P31391 2/20 0.36
SSTR3 P32745 2/20 0.36
SSTR5 P35346 2/20 0.36
CHRNA7 P36544 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PDE2A O00408 1/20 0.30
PTGER1 P34995 1/20 0.30
PDE4D Q08499 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 0.91 SSTR1 (0.36) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697623 0.91 SLC5A2 (0.37) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697642 0.91 SSTR1 (0.37) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697646 0.90 SLC5A2 (0.40) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697591 0.86 PTGER1 (0.33) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697647 0.84 SSTR1 (0.36) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697562 0.83 SSTR1 (0.33) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL21697655 0.82 SSTR1 (0.37) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL16656269 0.82 SLC5A2 (0.40) SLC5A2SLC5A1SSTR1SSTR2SSTR4
SCHEMBL16018609 0.82 SLC5A2 (0.40) 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