SCHEMBL6550558

SCHEMBL6550558

CCCCC(S)(CCCC)C(=O)C(C)(C)C.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 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
CES2 O00748 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
SCHEMBL6549318 0.99 CES2 (0.31) CA2CA1MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL6550954 0.84 CES2 (0.36) CES2
SCHEMBL6550041 0.79 NAAA (0.32)
SCHEMBL6551116 0.78 NAAA (0.34)
SCHEMBL6549325 0.77 NAAA (0.33)
SCHEMBL6550548 0.76 NAAA (0.35)
SCHEMBL28268390 0.75 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL7536154 0.75 FAAH (0.45) CES2
Butane SCHEMBL23581439 0.74 CA2 (0.45) CA2CA1MMP1MMP2MMP9
SCHEMBL18008773 0.73 EPHX1 (0.34) CES2

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
EP-1167349-B1 Chemical amplifying type positive resist composition SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20020015913-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-07 US disclosed
EP-1167349-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed