SCHEMBL9902253

SCHEMBL9902253

C=CC(=O)OC(C)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
HCAR2 Q8TDS4 1/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
TSHR P16473 1/20 0.33
ADORA2B P29275 3/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
DAO P14920 1/20 0.32
THRB P10828 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL6536970 0.81 HCAR2 (0.53) HCAR2TSHRTHRB
SCHEMBL9902891 0.80 ALOX5 (0.43) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14528798 0.80 ALOX5 (0.51) ALOX5HCAR2CHRNB2CHRNB4CHRNA3
SCHEMBL723114 0.80 ALOX5 (0.51) ALOX5HCAR2CHRNB2CHRNB4CHRNA3
SCHEMBL28905936 0.78 ALOX5 (0.58) ALOX5HCAR2CHRNB2CHRNB4CHRNA3
SCHEMBL28905939 0.78 ALOX5 (0.58) ALOX5HCAR2CHRNB2CHRNB4CHRNA3
SCHEMBL28905959 0.78 ALOX5 (0.58) ALOX5HCAR2CHRNB2CHRNB4CHRNA3
SCHEMBL9902506 0.77 ALOX5 (0.46) ALOX5HCAR2CHRNB2CHRNB4CHRNA3
SCHEMBL28964059 0.77 ALOX5 (0.37) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1569420 0.77 HCAR2 (0.51) ALOX5HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076288-A1 COMPOSITE COMPRISING NANOPARTICLES AND METHOD OF MAKING NANOPARTICLES UNIVERSITE DE LIEGE (BE) 2012-06-14 WO disclosed
EP-2462898-A1 Composite comprising nanoparticles and method for making nanoparticles Université de Liège (BE) 2012-06-13 EP disclosed
CN-100356917-C Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes HOFFMANN LA ROCHE (CH) 2007-12-26 CN disclosed
CN-1509173-A Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes - 2004-06-30 CN disclosed