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Sugi Predict / Compounds / SCHEMBL21697591

SCHEMBL21697591

SCHEMBL21697591

Cc1cc(OCc2ccccc2)c([C@@H]2O[C@H](COCc3ccccc3)C[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Cc1cc2cc(Cl)ccc2s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 3/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ SLC6A4 P31645 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) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697562 0.91 SSTR1 (0.33) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697600 0.86 SLC5A2 (0.41) PTGER1SSTR1SSTR2SSTR4SSTR3
SCHEMBL16018680 0.84 SLC5A1 (0.32) SLC5A1SLC5A2
SCHEMBL21697646 0.84 SLC5A2 (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697594 0.84 BCHE (0.34) PTGER1SSTR1SSTR2SSTR4SSTR3
SCHEMBL21697623 0.83 SLC5A2 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697642 0.83 SSTR1 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16020956 0.82 HTR2C (0.30) SLC5A1SLC5A2
SCHEMBL21697655 0.81 SSTR1 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5

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