SCHEMBL4452397

SCHEMBL4452397

C=Cc1ccc(Cc2ccccc2S)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.42
SLC5A1 P13866 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KEAP1 Q14145 1/20 0.36
PSMD14 O00487 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL4459809 0.81 TP53 (0.39) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL28682859 0.79 SLC5A1 (0.43) SLC5A2SLC5A1ALDH1A1TSHRKEAP1
SCHEMBL11174010 0.79 ALDH1A1 (0.43) SLC5A2SLC5A1ALDH1A1TSHRKEAP1
SCHEMBL21380600 0.78 KEAP1 (0.42) TSHRKEAP1SLC6A2SLC6A4SLC6A3
SCHEMBL31388216 0.78 SLC5A2 (0.46) SLC5A2SLC5A1ALDH1A1TSHRKEAP1
SCHEMBL234078 0.78 SLC5A1 (0.42) SLC5A2SLC5A1ALDH1A1TSHRKEAP1
SCHEMBL352619 0.78 CALM1 (0.52) HTR2A
SCHEMBL28040183 0.76 CALM1 (0.50) HTR2A
SCHEMBL28039804 0.76 CALM1 (0.50) HTR2A
SCHEMBL17415872 0.76 CALM1 (0.50) HTR2A

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
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed