SCHEMBL4544180

SCHEMBL4544180

CC=CCCC=CC(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
PPARA Q07869 3/20 0.47
IAPP P10997 2/20 0.38
PPARD Q03181 1/20 0.37
TRPA1 O75762 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TOP1 P11387 2/20 0.35
LTA4H P09960 2/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 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
SCHEMBL4544178 1.00 PPARG (0.47) PPARGPPARAIAPPPPARDTRPA1
SCHEMBL2355215 0.86 PPARG (0.50) PPARGPPARAIAPPTRPA1GPR52
SCHEMBL2355209 0.86 PPARG (0.50) PPARGPPARAIAPPTRPA1GPR52
SCHEMBL6941507 0.85 KDM4E (0.51) PPARGPPARAPPARDTRPA1KDM4E
SCHEMBL6941510 0.85 KDM4E (0.51) PPARGPPARAPPARDTRPA1KDM4E
SCHEMBL6636987 0.84 PPARG (0.40) PPARGPPARAIAPPPPARDTRPA1
SCHEMBL6636990 0.84 PPARG (0.40) PPARGPPARAIAPPPPARDTRPA1
SCHEMBL4952427 0.82 PPARG (0.61) PPARGPPARAPPARDKDM4ETOP1
SCHEMBL531304 0.80
SCHEMBL6138662 0.80

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129224-B1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
EP-2129224-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2009-12-09 EP disclosed
WO-2008124450-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed