SCHEMBL16348339

SCHEMBL16348339

CCCCn1ccc(-c2cc(Cl)ccc2OC(C(=O)OC)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TSPO P30536 1/20 0.36
CRHR1 P34998 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL16348369 0.92 PPARA (0.48) PPARGPPARAALDH1A1NPSR1L3MBTL1
SCHEMBL16348362 0.91 PPARG (0.42) PPARGPPARAALDH1A1NPSR1L3MBTL1
SCHEMBL16348340 0.88 PTGER1 (0.41) PPARGPPARAALDH1A1NPSR1L3MBTL1
SCHEMBL16348426 0.87 PSEN1 (0.38) PPARGPPARAALDH1A1MEN1CYP1A2
SCHEMBL16348357 0.87 PPARG (0.47) PPARGPPARAALDH1A1MEN1CYP1A2
SCHEMBL16348364 0.86 PPARG (0.45) PPARGPPARAALDH1A1NPSR1L3MBTL1
SCHEMBL16348310 0.85 PPARG (0.41) PPARGPPARAALDH1A1NPSR1L3MBTL1
SCHEMBL16348309 0.82 PPARA (0.52) PPARGPPARAALDH1A1NPSR1L3MBTL1
SCHEMBL16348368 0.81 PPARG (0.38) PPARGLMNAMAPT
SCHEMBL16348313 0.81 PPARG (0.44) PPARGPPARA

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed