SCHEMBL4582857

SCHEMBL4582857

O=C(c1ccccc1)C(O)[C@H]1O[C@H](Br)[C@@](O)(C(F)(F)F)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
LMNA P02545 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL10399320 0.85 CES2 (0.36) CES2LMNACES1
SCHEMBL10399319 0.85 CES2 (0.36) CES2LMNACES1
SCHEMBL8822163 0.84 CES2 (0.33) CES2LMNACES1
Hydrochloric Acid SCHEMBL28792392 0.80 CES2 (0.36) CES2LMNACES1
SCHEMBL28945305 0.78 CES1 (0.37) CES2LMNACES1
SCHEMBL27797096 0.78 CES2 (0.34) CES2LMNACES1
SCHEMBL27797093 0.78 CES2 (0.34) CES2LMNACES1
SCHEMBL11383230 0.75 LMNA (0.36) CES2LMNACES1
SCHEMBL8822193 0.74 CES2 (0.33) CES2LMNACES1
SCHEMBL27844267 0.72 CES2 (0.32) CES2LMNACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585529-A4 PROCESS FOR THE PRODUCTION OF 2'-BRANCHED NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2008-05-28 EP disclosed
WO-2007025304-A2 PROCESS FOR PREPARING SACCHARINIC ACIDS AND LACTONES THE CHANCELLORS, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2007-03-01 WO disclosed
EP-1585529-A2 PROCESS FOR THE PRODUCTION OF 2'-BRANCHED NUCLEOSIDES Idenix (Cayman) Limited (KY) 2005-10-19 EP disclosed
WO-2004052899-A2 PROCESS FOR THE PRODUCTION OF 2'-BRANCHED NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2004-06-24 WO disclosed