SCHEMBL27739636

SCHEMBL27739636

C[C](Cc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NLRP3 Q96P20 1/20 0.42
MAOB P27338 2/20 0.42
MAPK8 P45983 2/20 0.41
MAPT P10636 1/20 0.41
MAPK10 P53779 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
PIK3CA P42336 1/20 0.40
RXRA P19793 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CNR2 P34972 1/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
OPRK1 P41145 1/20 0.39
CYP17A1 P05093 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
SCHEMBL6315721 0.82 CA12 (0.51) PPARGPPARA
SCHEMBL19946331 0.79 PPARG (0.48) PPARGPPARAHDAC1HDAC8NLRP3
SCHEMBL4574985 0.78 LSS (0.52) PPARGPPARAHDAC1HDAC8EPHX2
SCHEMBL7978684 0.75 GAA (0.48) PPARGPPARAHDAC1HDAC8MAOB
SCHEMBL8112750 0.74 PPARG (0.60) PPARGPPARAHDAC8
SCHEMBL15261546 0.73 PPARG (0.46) PPARGPPARAMAOBMAPTRXRA
SCHEMBL265118 0.72 PIK3CA (0.53) HDAC1HDAC8NLRP3MAOBHRH3
SCHEMBL17687214 0.72 PHGDH (0.46) PPARGPPARA
SCHEMBL1853151 0.72 CYP17A1 (0.54) PPARGPPARAHDAC1MAPTEPHX2
SCHEMBL1138925 0.72 EPHX2 (0.59) MAPTRXFP1EPHX2CYP17A1

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
CN-101421265-A Thiazole compounds as protein kinase b (pkb) inhibitors AMGEN INC (US) 2009-04-29 CN disclosed