SCHEMBL20107390

SCHEMBL20107390

C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.43
BCHE P06276 3/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36

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
SCHEMBL8330102 1.00 PDE4D (0.43) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL20107274 1.00 PDE4D (0.43) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL19562348 0.90 PDE4D (0.46) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL20725200 0.83 PDE4D (0.50) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL16018722 0.83 PDE4D (0.42) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL1764472 0.83 BCHE (0.41) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL8331943 0.83 SSTR1 (0.46) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL1764469 0.83 BCHE (0.41) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL9545173 0.82 PDE4D (0.48) PDE4DBCHEACHESLC6A2PDPK1
SCHEMBL17903350 0.80 PDE4D (0.43) PDE4DBCHEACHESLC6A2PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315502-A1 C,O-SPIRO ARYL GLYCOSIDE COMPOUNDS, PREPARATION THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-05-02 EP disclosed