SCHEMBL5820210

SCHEMBL5820210

CCOC(C(=O)O)c1ccc(OCCN2CCOc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.49
PPARA Q07869 7/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 3/20 0.43
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARD Q03181 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
TP53 P04637 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
SCHEMBL14265753 0.85 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL5107356 0.85 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL7693289 0.82 TSHR (0.43) PPARGPPARAMAPTLMNARXFP1
SCHEMBL14265752 0.80 PPARG (0.58) PPARGPPARAMAPTLMNARXFP1
SCHEMBL5107710 0.80 PPARG (0.58) PPARGPPARAMAPTLMNARXFP1
SCHEMBL5107137 0.80 PPARG (0.58) PPARGPPARAMAPTLMNARXFP1
SCHEMBL5104423 0.79 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL5107151 0.79 PPARG (0.57) PPARGPPARAMAPTLMNARXFP1
N-Benzylmethylamine SCHEMBL7525090 0.79 PPARG (0.61) PPARGPPARAPPARD
Tromethamine SCHEMBL7522757 0.79 PPARG (0.61) PPARGPPARAPPARD

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-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO disclosed