SCHEMBL9902891

SCHEMBL9902891

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 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
THRB P10828 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TSHR P16473 3/20 0.31
ACACB O00763 1/20 0.30
CXCR1 P25024 2/20 0.30
CXCR2 P25025 2/20 0.30
PSMB5 P28074 1/20 0.30
ACKR3 P25106 1/20 0.30
HPGD P15428 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
SCHEMBL28964059 0.85 ALOX5 (0.37) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7675778 0.81 ALOX5 (0.47) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9902253 0.80 ALOX5 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9903752 0.79 ALOX5 (0.43) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1371364 0.78 THRB (0.41) THRB
SCHEMBL12391681 0.78 THRB (0.38) ALOX5THRBTSHRACACBHPGD
SCHEMBL17844649 0.77 THRB (0.41) THRB
Acetic Acid SCHEMBL28013205 0.76 THRB (0.40) THRBHPGD
Propionic Acid SCHEMBL28013214 0.75 THRB (0.39) THRBHPGD
SCHEMBL28013206 0.73 HCAR2 (0.41) THRBACACB

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