SCHEMBL464738

SCHEMBL464738

CC(C)(C)C(c1ccc(OCc2ccccc2)cc1)[C@H](NC(=O)O)[C@H]1CO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.42
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL1044376 0.84 HPGD (0.40) MAPTLMNAL3MBTL1
SCHEMBL3103010 0.84 HPGD (0.40) MAPTLMNAL3MBTL1
SCHEMBL718202 0.84 HPGD (0.40) MAPTLMNAL3MBTL1
SCHEMBL3743645 0.84 HPGD (0.40) MAPTLMNAL3MBTL1
SCHEMBL3345242 0.80 ALOX5 (0.47) PRKCAPRKCDALOX5FFAR1MAOB
SCHEMBL3345233 0.80 ALOX5 (0.47) PRKCAPRKCDALOX5FFAR1MAOB
SCHEMBL4079035 0.78 PPARG (0.50) FFAR1MAOB
SCHEMBL4344226 0.78 PPARG (0.50) FFAR1MAOB
SCHEMBL970614 0.74 CYP26A1 (0.37)
SCHEMBL13117273 0.72 LMNA (0.51) ALOX5MAPTKMT2AMAOBLMNA

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-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 EP disclosed