SCHEMBL1594481

SCHEMBL1594481

CC(C)(C)C[C@H](O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ BACE1 P56817 6/20 0.42
▸ BCHE P06276 4/20 0.42
▸ FPR2 P25090 1/20 0.41
▸ ACE P12821 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL1595139 0.83 PPARG (0.45) PPARGPPARAEPHX2FPR2ACE
SCHEMBL1595140 0.83 PPARG (0.45) PPARGPPARAEPHX2FPR2ACE
SCHEMBL4297298 0.83 PPARG (0.45) PPARGPPARAEPHX2FPR2ACE
SCHEMBL4297294 0.83 PPARG (0.45) PPARGPPARAEPHX2FPR2ACE
SCHEMBL21528786 0.81 MMP2 (0.42) PPARGPPARAEPHX2BACE1BCHE
SCHEMBL21528784 0.81 MMP2 (0.42) PPARGPPARAEPHX2BACE1BCHE
SCHEMBL3736419 0.78 PPARG (0.45) PPARGPPARAEPHX2FPR2ACE
SCHEMBL5440353 0.78 BACE1 (0.62) BACE1BCHE
SCHEMBL5440357 0.78 BACE1 (0.62) BACE1BCHE
SCHEMBL5753617 0.75 FFAR2 (0.43) PPARGPPARAEPHX2FPR2L3MBTL1

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
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 — — US disclosed
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