SCHEMBL4728272

SCHEMBL4728272

CC(C)(C)ON(C=O)[C@@H](Cc1ccccc1Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CNR1 P21554 1/20 0.38
CTSK P43235 1/20 0.36
FABP4 P15090 2/20 0.36
FABP5 Q01469 2/20 0.36
SLC1A5 Q15758 1/20 0.36
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
NR4A2 P43354 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
SCHEMBL28233244 0.83 CYP1A2 (0.41) PPARGPPARAALDH1A1MAPT
SCHEMBL4782527 0.81 PPARG (0.35) PPARGPPARACNR1CTSKMAOB
SCHEMBL28815235 0.78 KDM4E (0.54) CTSKLMNAGAAMAPT
SCHEMBL25179496 0.77 MMP13 (0.46) PPARGPPARACNR1FABP4FABP5
SCHEMBL25270118 0.77 MMP13 (0.46) PPARGPPARACNR1FABP4FABP5
SCHEMBL22804109 0.75 SLC7A5 (0.42) CTSK
SCHEMBL7385110 0.75 CYP2C19 (0.49) CTSKALDH1A1
SCHEMBL7106924 0.74 ITGB1 (0.34) PPARANPC1
SCHEMBL22804107 0.74 L3MBTL1 (0.52) ALDH1A1MAPT
SCHEMBL27865011 0.72 P4HTM (0.44) PPARGPPARAMAOBLMNA

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
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO disclosed