SCHEMBL6551273

SCHEMBL6551273

CCCCCC(=O)C[S+](C(C)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 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.33
CES1 P23141 10/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
MMP8 P22894 4/20 0.33
MMP13 P45452 4/20 0.33
CES2 O00748 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HAO1 Q9UJM8 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
SCHEMBL6550904 1.00 FAAH (0.33) FAAHCES1CA1CA2MMP1
SCHEMBL6550841 0.99 CES1 (0.35) FAAHCES1CA1CA2MMP1
SCHEMBL6551167 0.99 CES1 (0.35) FAAHCES1CA1CA2MMP1
SCHEMBL6550987 0.96 CA1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL6551173 0.96 CA1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL6549719 0.91 CA2 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL6551043 0.91 CA2 (0.35) CA1CA2MMP1MMP2MMP9
Perflubutane SCHEMBL7534441 0.88 FAAH (0.42) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7563045 0.88 FAAH (0.42) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6549763 0.87 FAAH (0.35) FAAHCES1CA1CA2MMP1

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-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed
EP-1167349-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed