SCHEMBL4977115

SCHEMBL4977115

CC(C)(C)OC(=O)C(C(=O)O)C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PDPK1 O15530 1/20 0.42
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
ACP3 P15309 1/20 0.38
FFAR1 O14842 3/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HSD11B1 P28845 1/20 0.37
APP P05067 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
SCHEMBL5165429 0.85 AKR1C3 (0.43) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL4292495 0.85 NPSR1 (0.41) CES2CES1PPARGFFAR1
SCHEMBL1147460 0.84 PDPK1 (0.41) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL1595652 0.80 PPARG (0.39) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL1595653 0.80 PPARG (0.39) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL1594254 0.80 PPARG (0.39) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL1594258 0.80 PPARG (0.39) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL2545468 0.79 PDPK1 (0.37) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL1742721 0.79 PDPK1 (0.37) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL12475124 0.78 PPARG (0.49) CES2CES1AKR1C3AKR1C2PPARG

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