SCHEMBL8428252

SCHEMBL8428252

[CH2]CN(CCC)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA12 O43570 6/20 0.46
CA2 P00918 3/20 0.46
CA14 Q9ULX7 2/20 0.46
CA9 Q16790 4/20 0.35
CA7 P43166 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
UGT1A7 Q9HAW7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL999624 0.85 CA1 (0.60) CA1CA12CA2CA14CA9
SCHEMBL5252426 0.80 CA1 (0.55) CA1CA12CA2CA14CA9
SCHEMBL6547381 0.80 CA1 (0.55) CA1CA12CA2CA14CA9
SCHEMBL8429954 0.80
SCHEMBL27829031 0.78 CA1 (0.52) CA1CA12CA2CA14CA9
Acetic Acid SCHEMBL584421 0.76 CA1 (0.50) CA1CA12CA2CA14CA9
SCHEMBL11580213 0.76 CA1 (0.50) CA1CA12CA2CA14CA9
SCHEMBL28476788 0.76 CA1 (0.50) CA1CA12CA2CA14CA9
Hydrochloric Acid SCHEMBL11449958 0.76 CA1 (0.44) CA1CA12CA2CA14CA9
SCHEMBL6546929 0.74 CA1 (0.48) CA1CA12CA2CA14CA9

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
EP-0755052-B1 Optical recording medium MITSUI CHEMICALS INC (JP) 1999-11-17 EP disclosed
EP-0755052-A2 Optical recording medium MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-22 EP disclosed