SCHEMBL9799958

SCHEMBL9799958

CO[C@@H]1C[C@H](OCc2ccccc2)[C@@H](CO)OC1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.55
SLC6A2 P23975 2/20 0.43
GYPA P02724 1/20 0.41
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
LGALS8 O00214 1/20 0.40
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 3/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL10807993 0.84 PDE4D (0.54) PDE4DSLC6A2GYPAPSEN1PSEN2
SCHEMBL10809088 0.82 PDE4D (0.61) PDE4DSLC6A2GYPAPSEN1PSEN2
SCHEMBL10803799 0.82 PDE4D (0.61) PDE4DSLC6A2GYPAPSEN1PSEN2
SCHEMBL8644844 0.81 PDE4D (0.56) PDE4DSLC6A2GYPAPSEN1PSEN2
SCHEMBL7570826 0.78 PDE4D (0.57) PDE4DSLC6A2GYPA
SCHEMBL7570831 0.78 PDE4D (0.57) PDE4DSLC6A2GYPA
SCHEMBL7570823 0.78 PDE4D (0.57) PDE4DSLC6A2GYPA
SCHEMBL1776371 0.78 PDE4D (0.51) PDE4DSLC6A2GYPAPSEN1PSEN2
SCHEMBL10755806 0.78 PDE4D (0.51) PDE4DSLC6A2GYPAPSEN1PSEN2
SCHEMBL10755807 0.78 PDE4D (0.51) PDE4DSLC6A2GYPAPSEN1PSEN2

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
US-5047518-A 1,6-anhydro-β-hexopyranose derivatives and their use as herbicides and plant growth regulators HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND (NZ) 1991-09-10 US disclosed
EP-0229034-A2 Hexopyranoses and compositions for agricultural use HER MAJESTY THE QUEEN in right of New Zealand Department of Scientific and Industrial Research (NZ) 1987-07-15 EP disclosed