SCHEMBL3402480

SCHEMBL3402480

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.41
SLC5A2 P31639 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
BCL2 P10415 2/20 0.39
LMNA P02545 4/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH1 P35367 1/20 0.38
HTT P42858 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL152934 0.91 SMN1; SMN2 (0.39) SLC5A1SLC5A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3403710 0.91 CYP3A4 (0.41) SLC5A1SLC5A2ALDH1A1BCL2POLB
SCHEMBL3402487 0.90 SLC5A1 (0.50) SLC5A1SLC5A2RAB9A
SCHEMBL3402483 0.90 SLC5A1 (0.50) SLC5A1SLC5A2RAB9A
SCHEMBL153287 0.89 HK1 (0.37) SLC5A1SLC5A2POLBLGALS9LGALS8
SCHEMBL155942 0.88 SLC5A1 (0.36) SLC5A1SLC5A2SMN1; SMN2MAPTTP53
SCHEMBL152103 0.83 HK1 (0.35) SLC5A2ALDH1A1HTTLGALS9LGALS1
SCHEMBL152936 0.82 SLC5A2 (0.47) SLC5A1SLC5A2RAB9A
SCHEMBL152935 0.82 SLC5A2 (0.47) SLC5A1SLC5A2RAB9A
SCHEMBL3403729 0.80 SLC5A1 (0.50) SLC5A1SLC5A2RAB9A

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