SCHEMBL9903752

SCHEMBL9903752

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 1/20 0.32
ELANE P08246 1/20 0.31
TSHR P16473 1/20 0.31
CACNA2D1 P54289 3/20 0.30
CXCR1 P25024 2/20 0.30
CXCR2 P25025 2/20 0.30
ACKR3 P25106 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL7675778 0.84 ALOX5 (0.47) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9902506 0.80 ALOX5 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9902891 0.79 ALOX5 (0.43) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1372183 0.78 HPGD (0.42) ELANE
SCHEMBL26816165 0.76 TSHR (0.33) SLC6A4TSHR
SCHEMBL8415542 0.75 HTT (0.46) ELANETSHR
SCHEMBL9971656 0.74 ELANE (0.44) ALOX5ELANETSHR
SCHEMBL27643854 0.73 ACACB (0.41)
SCHEMBL26059980 0.73 KDM4E (0.41) SLC6A2TSHR
SCHEMBL5039798 0.73 LMNA (0.46) ALOX5

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