SCHEMBL5389536

SCHEMBL5389536

O=S(=O)(OS1(c2ccccc2)CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.36
CA1 P00915 12/20 0.36
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 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
SCHEMBL5388343 0.99 CA1 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL709018 0.87 CA1 (0.31) CA2CA1MMP1MMP2MMP9
SCHEMBL4992954 0.85 CA1 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL5357442 0.84 CA1 (0.34) CA2CA1MMP2
SCHEMBL36384 0.84 GAA (0.34) CA2CA1
SCHEMBL4997241 0.83 CA1 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL5350465 0.83 GAA (0.34) CA2CA1MMP2
SCHEMBL3164780 0.80 TSHR (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL3164931 0.78 TSHR (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL4995342 0.77 ALDH1A1 (0.35) CA2CA1

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-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed