SCHEMBL3402487

SCHEMBL3402487

COc1ccc(C(=O)c2ccccc2)c(-n2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 6/20 0.50
SLC5A2 P31639 5/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTPN1 P18031 1/20 0.42

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
SCHEMBL3402483 1.00 SLC5A1 (0.50) SLC5A1SLC5A2NPC1RAB9APTPN1
SCHEMBL152936 0.91 SLC5A2 (0.47) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL152935 0.91 SLC5A2 (0.47) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL3403720 0.91 SLC5A1 (0.50) SLC5A1SLC5A2NPC1RAB9APTPN1
SCHEMBL3403729 0.91 SLC5A1 (0.50) SLC5A1SLC5A2NPC1RAB9APTPN1
SCHEMBL3402480 0.90 SLC5A1 (0.41) SLC5A1SLC5A2RAB9A
SCHEMBL153288 0.89 ATM (0.45) SLC5A1SLC5A2
SCHEMBL27872939 0.89 ATM (0.45) SLC5A1SLC5A2
SCHEMBL153289 0.89 ATM (0.45) SLC5A1SLC5A2
SCHEMBL155943 0.87 SLC5A1 (0.47) SLC5A1SLC5A2NPC1RAB9APTPN1

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-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed