SCHEMBL9902506

SCHEMBL9902506

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
ADORA2B P29275 4/20 0.33
TSHR P16473 1/20 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
ALDH1A1 P00352 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL723114 0.83 ALOX5 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14528798 0.83 ALOX5 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14258939 0.81 TSHR (0.41) TSHRALDH1A1HCAR2ELANE
SCHEMBL9903752 0.80 ALOX5 (0.43) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28905936 0.78 ALOX5 (0.58) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28905959 0.78 ALOX5 (0.58) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28905939 0.78 ALOX5 (0.58) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9902253 0.77 ALOX5 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL41864 0.76 HCAR2 (0.53) ALDH1A1HCAR2ELANE
SCHEMBL20481632 0.76 CYP2C9 (0.38) TSHRALDH1A1HCAR2

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
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