SCHEMBL4968290

SCHEMBL4968290

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
FFAR1 O14842 5/20 0.35
PPARD Q03181 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
EEF2K O00418 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
SCHEMBL4294232 0.88 NPSR1 (0.37) PPARGLDHALDHBFFAR1PPARD
SCHEMBL27739631 0.79 PPARA (0.39) PPARGPPARAPPARD
SCHEMBL2545468 0.79 PDPK1 (0.37) PDPK1AKR1C3AKR1C2PPARGPPARA
SCHEMBL1742721 0.79 PDPK1 (0.37) PDPK1AKR1C3AKR1C2PPARGPPARA
SCHEMBL4977115 0.78 CES2 (0.43) PDPK1AKR1C3AKR1C2PPARGPPARA
SCHEMBL5165429 0.78 AKR1C3 (0.43) PDPK1AKR1C3AKR1C2PPARGPPARA
SCHEMBL4292305 0.77 PPARG (0.41) AKR1C3AKR1C2PPARGPPARA
SCHEMBL12056590 0.77 PPARG (0.40) PPARGPPARAFFAR1PSENEN
SCHEMBL1147460 0.77 PDPK1 (0.41) PDPK1AKR1C3AKR1C2PPARGPPARA
SCHEMBL1594262 0.76 LDHA (0.39) AKR1C3AKR1C2PPARGPPARALDHA

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