SCHEMBL4860562

SCHEMBL4860562

c1cc(SCC2CO2)cc(SCC2CS2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
DRD4 P21917 2/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CRBN Q96SW2 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
SCHEMBL1276306 0.88 CRBN (0.35) ALDH1A1CRBN
SCHEMBL1402646 0.88 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL4863996 0.86 DRD4 (0.31) DRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4857907 0.82 MAPT (0.32) CHRM2
SCHEMBL4853977 0.80 CRBN (0.31) CRBN
SCHEMBL4864497 0.80 TDP1 (0.33) ALDH1A1DRD4CHRM2CHRM4CHRM1
SCHEMBL4855171 0.78 DRD4 (0.32) DRD4
SCHEMBL19876746 0.77 TMEM97 (0.38) CRBN
SCHEMBL4861655 0.77
SCHEMBL4645061 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354989-B2 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2008-04-08 US disclosed
US-20050124783-A1 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2005-06-09 US disclosed
EP-1484352-A1 THIOEPOXY BASED POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCTION THEREOF MITSUI CHEMICALS, INC. (JP) 2004-12-08 EP disclosed