SCHEMBL14722152

SCHEMBL14722152

OC1CC(OCc2ccccc2)[C@H](COCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.49
ACHE P22303 2/20 0.49
PDE4D Q08499 1/20 0.48
TSHR P16473 1/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
AGTR2 P50052 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 1/20 0.37
SCN9A Q15858 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
SCHEMBL14719887 1.00 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL14719819 1.00 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL23313010 1.00 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL22241748 1.00 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL21783194 0.90 BCHE (0.52) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL22242702 0.83 TSHR (0.45) BCHEACHEPDE4DTSHRAGTR2
SCHEMBL22756306 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL23273737 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL22756305 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1
SCHEMBL29589236 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRPSEN1

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-2748168-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2014-07-02 EP disclosed
WO-2013028832-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-28 WO disclosed