SCHEMBL8848680

SCHEMBL8848680

O=S(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA1 P00915 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

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
SCHEMBL25951886 0.84 F2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL2057808 0.81 CA2 (0.31) CA2CA1MMP9
SCHEMBL2057905 0.81 CA2 (0.31) CA2CA1
SCHEMBL2057200 0.81 CA2 (0.31) CA2CA1MMP9
SCHEMBL2057675 0.81 CA2 (0.31) CA2
SCHEMBL2057646 0.81 CA2 (0.31) CA2CA1
SCHEMBL2057473 0.80
SCHEMBL2057563 0.80
SCHEMBL2057558 0.79
SCHEMBL2057253 0.79

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621144-A Fluorinated compounds as oxygen transport agents ISIS INNOVATION LIMITED (GB) 1997-04-15 US disclosed