SCHEMBL153142

SCHEMBL153142

COc1ccc(C(=O)c2ccccc2-n2cc(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]3O)c3c(Cl)c(Br)ccc32)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.34
SLC5A1 P13866 2/20 0.34
CA12 O43570 4/20 0.32
CA9 Q16790 4/20 0.32
CA1 P00915 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL153144 0.91 NPC1 (0.41) SLC5A2SLC5A1NPC1RAB9AAPP
SCHEMBL27856156 0.91 NPC1 (0.41) SLC5A2SLC5A1NPC1RAB9AAPP
SCHEMBL153143 0.91 NPC1 (0.41) SLC5A2SLC5A1NPC1RAB9AAPP
SCHEMBL157542 0.89 SLC5A2 (0.37) SLC5A2SLC5A1CA12CA9CA1
SCHEMBL155666 0.86 HK1 (0.33) SLC5A2SLC5A1
SCHEMBL154135 0.86 TP53 (0.35) SLC5A2APP
SCHEMBL155033 0.86 SLC28A3 (0.34) SLC5A2SLC5A1
SCHEMBL155942 0.85 SLC5A1 (0.36) SLC5A2SLC5A1CA12CA9CA1
SCHEMBL153421 0.85 MAPK8 (0.36) SLC5A2SLC5A1CA12CA9CA1
SCHEMBL157544 0.80 NPC1 (0.42) SLC5A2SLC5A1NPC1RAB9AAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed