SCHEMBL6915522

SCHEMBL6915522

COc1ccccc1[S+]([O-])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 2/20 0.46
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ENPP2 Q13822 1/20 0.36
TRPA1 O75762 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ORAI1 Q96D31 1/20 0.35

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
SCHEMBL15418801 0.89 CA1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL3139825 0.87 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL31038383 0.87 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL20955819 0.86 LTA4H (0.48) CA1CA2CA7CA9CA12
SCHEMBL29587251 0.86 LTA4H (0.48) CA1CA2CA7CA9CA12
SCHEMBL11622517 0.81 LMNA (0.40) CA1CA2CA7CA9CA12
SCHEMBL6727413 0.81 ALDH1A1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL20328481 0.79 KCNH2 (0.31)
SCHEMBL2092497 0.79 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL31005134 0.79 CA1 (0.50) CA1CA2CA7CA9CA12

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
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed