SCHEMBL9856037

SCHEMBL9856037

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl.[KH]

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL9856221 0.95 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL9855949 0.90 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL2497076 0.87 ALDH1A1 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL217909 0.87 ALDH1A1 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL9855752 0.84 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL2500519 0.84 CA2 (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL714652 0.84 ALDH1A1 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL1455645 0.84 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL3745426 0.81 ALDH1A1 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL714854 0.81 CA2 (0.44) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280392-B1 PREPARATION AND REACTIONS OF OMEGA-HALOSULFONYL PERFLUOROALKANESULFONATES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-08-28 EP disclosed
US-5011983-A Chemical intermediates, latent catalysts MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-04-30 US disclosed