SCHEMBL9150445

SCHEMBL9150445

O=S(=O)(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
THRB P10828 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
SCHEMBL9155330 0.98 CA2 (0.30) CA2
SCHEMBL9156962 0.96 CA2 (0.31) CA2CA1MMP1MMP2MMP9
SCHEMBL9155205 0.96 CA2 (0.31) CA2CA1MMP1MMP2MMP9
SCHEMBL8768553 0.92 CA2 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL9141603 0.92 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL2959331 0.92 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL9143150 0.92 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL7560689 0.92 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL9146488 0.92 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL9154919 0.90 CA2 (0.30) CA2

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
EP-0638112-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-15 EP disclosed