SCHEMBL5433859

SCHEMBL5433859

Cc1ccc([S+]2CCCC2)cc1.O=S(=O)([O-])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 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CA2 P00918 10/20 0.34
CA1 P00915 9/20 0.34
PKM P14618 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
GAA P10253 1/20 0.30
TLR9 Q9NR96 1/20 0.30
ACHE P22303 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
SCHEMBL5439039 0.99 ALDH1A1 (0.35) ALDH1A1CA2CA1PKMPOLB
Trifluoromethanesulfonic Acid SCHEMBL3627234 0.96 ALDH1A1 (0.34) ALDH1A1CA2CA1PKMPOLB
Trifluoromethanesulfonic Acid SCHEMBL3627231 0.92 ALDH1A1 (0.32) ALDH1A1GAA
Trifluoromethanesulfonic Acid SCHEMBL3627233 0.87 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7055117 0.87 LMNA (0.37) ALDH1A1CA2CA1MMP1MMP2
SCHEMBL2901096 0.86 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL5002022 0.86 GPR3 (0.31) PKMHTT
SCHEMBL2901807 0.86 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL5357438 0.86 GAA (0.36) ALDH1A1CA2CA1PKMHTT
SCHEMBL7057650 0.86 LMNA (0.39) ALDH1A1CA2CA1GAAACHE

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-20070254247-A1 Radiation-sensitive resin composition YAMAMOTO MASAFUMI 2007-11-01 US disclosed
US-7005230-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-02-28 US disclosed
US-20040146802-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2004-07-29 US disclosed