SCHEMBL9545173

SCHEMBL9545173

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.48
SLC6A2 P23975 2/20 0.45
BCHE P06276 3/20 0.40
ACHE P22303 1/20 0.40
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSV O60911 1/20 0.35

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
SCHEMBL16018722 0.88 PDE4D (0.42) PDE4DSLC6A2BCHEACHEPDPK1
SCHEMBL25084227 0.87 PDE4D (0.52) PDE4DSLC6A2PSEN1PSEN2APH1B
SCHEMBL7564025 0.86 BCHE (0.50) PDE4DSLC6A2BCHEACHESSTR1
SCHEMBL7564019 0.86 BCHE (0.50) PDE4DSLC6A2BCHEACHESSTR1
SCHEMBL20107286 0.85 PDE4D (0.44) PDE4DSLC6A2BCHEACHEPDPK1
SCHEMBL7900265 0.83 PDE4D (0.43) PDE4DSLC6A2BCHEACHEPDPK1
SCHEMBL20107274 0.82 PDE4D (0.43) PDE4DSLC6A2BCHEACHEPDPK1
SCHEMBL20107390 0.82 PDE4D (0.43) PDE4DSLC6A2BCHEACHEPDPK1
SCHEMBL8330102 0.82 PDE4D (0.43) PDE4DSLC6A2BCHEACHEPDPK1
SCHEMBL14428904 0.80 PDE4D (0.47) PDE4DSLC6A2BCHEPSEN1PSEN2

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
WO-1993017032-A1 TECHNIQUES AND INTERMEDIATES FOR PREPARING NON-PEPTIDE PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-09-02 WO disclosed