SCHEMBL12954569

SCHEMBL12954569

COC(=O)OCC1OC(Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 15/20 0.81
▸ SLC5A2 P31639 13/20 0.81
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ SLC28A3 Q9HAS3 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SLC28A2 O43868 1/20 0.50
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL15692432 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL16421551 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL13678075 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL16488293 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL18058596 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL366908 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL303449 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL12587499 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL15196200 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3
SCHEMBL13043765 1.00 SLC5A1 (0.81) SLC5A1SLC5A2HPGDHSD17B10SLC28A3

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-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 — — EP disclosed
EP-2083832-B1 NOVEL 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES WITH IMPROVED PROPERTIES, METHOD FOR PRODUCING THE SAME, DRUGS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2011-01-05 — — EP disclosed
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