SCHEMBL4412796

SCHEMBL4412796

CCc1ccc(Cn2cnc3cc(C)cc(O[C@@]4(O)[C@H](O)O[C@@H](CO)[C@H](O)[C@H]4O)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 15/20 0.34
▸ SLC5A1 P13866 5/20 0.34
▸ SLC29A1 Q99808 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL3409039 1.00 SLC5A2 (0.34) SLC5A2SLC5A1SLC29A1CYP11B1CYP11B2
SCHEMBL3413240 1.00 SLC5A2 (0.34) SLC5A2SLC5A1SLC29A1CYP11B1CYP11B2
SCHEMBL3409047 1.00 SLC5A2 (0.34) SLC5A2SLC5A1SLC29A1CYP11B1CYP11B2
SCHEMBL4420233 0.90 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1
SCHEMBL4420237 0.90 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1
SCHEMBL3410151 0.90 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1
SCHEMBL3410146 0.90 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1
SCHEMBL3411369 0.88 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1
SCHEMBL4551749 0.88 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1
SCHEMBL4551750 0.88 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 — — EP claimed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 — — EP claimed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 — — WO claimed
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 — — EP disclosed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 — — EP disclosed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 — — WO disclosed
Send feedback