SCHEMBL3403729

SCHEMBL3403729

COc1ccc(C(C)=O)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 9)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.50
SLC5A2 P31639 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SLC28A3 Q9HAS3 3/20 0.46
ATM Q13315 1/20 0.45
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.43
IL2 P60568 1/20 0.43

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
SCHEMBL3403720 1.00 SLC5A1 (0.50) SLC5A1SLC5A2NPC1RAB9ASLC28A3
SCHEMBL3402487 0.91 SLC5A1 (0.50) SLC5A1SLC5A2NPC1RAB9APTPN1
SCHEMBL3402483 0.91 SLC5A1 (0.50) SLC5A1SLC5A2NPC1RAB9APTPN1
SCHEMBL3403710 0.90 CYP3A4 (0.41) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL152730 0.89 SLC28A3 (0.51) SLC5A1SLC5A2SLC28A3ATMEPHX2
SCHEMBL152729 0.89 SLC28A3 (0.51) SLC5A1SLC5A2SLC28A3ATMEPHX2
SCHEMBL154555 0.89 NPC1 (0.46) SLC5A1SLC5A2NPC1RAB9ASLC28A3
SCHEMBL154556 0.89 NPC1 (0.46) SLC5A1SLC5A2NPC1RAB9ASLC28A3
SCHEMBL155943 0.86 SLC5A1 (0.47) SLC5A1SLC5A2NPC1RAB9APTPN1
SCHEMBL27872825 0.86 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