SCHEMBL4969230

SCHEMBL4969230

[CH2][C@H](c1ccc(C(F)(F)F)cc1)[C@@H](CO)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
FFAR1 O14842 3/20 0.35
APP P05067 1/20 0.35
MAPT P10636 2/20 0.34
EEF2K O00418 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL1595147 0.79 PRKCA (0.41) CES2CES1PPARGPPARAFFAR1
SCHEMBL1595149 0.79 PRKCA (0.41) CES2CES1PPARGPPARAFFAR1
SCHEMBL1743778 0.76 PRKCA (0.38) CES2CES1PPARGPPARAFFAR1
SCHEMBL1743782 0.76 PRKCA (0.38) CES2CES1PPARGPPARAFFAR1
SCHEMBL1743781 0.76 PRKCA (0.38) CES2CES1PPARGPPARAFFAR1
SCHEMBL17634288 0.74 GSK3B (0.45) CES2CES1AKR1C3AKR1C2PPARG
SCHEMBL7356998 0.73 LMNA (0.40) AKR1C3AKR1C2FFAR1ALDH1A1
SCHEMBL4659430 0.71 GRM8 (0.38) CES2CES1AKR1C3AKR1C2PPARG
SCHEMBL1742715 0.71 ALDH1A1 (0.36) CES2CES1PPARGPPARAFFAR1
SCHEMBL1742709 0.71 ALDH1A1 (0.36) CES2CES1PPARGPPARAFFAR1

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-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed