SCHEMBL11345149

SCHEMBL11345149

CCN(CC1CO1)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 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32
MMP13 P45452 3/20 0.32
CA1 P00915 2/20 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
SCHEMBL10368279 0.91 CA2 (0.40) CA2MMP1MMP2MMP9MMP8
SCHEMBL10367256 0.91 CA2 (0.40) CA2MMP1MMP2MMP9MMP8
SCHEMBL1633836 0.89 CA2 (0.34) CA2MMP1MMP2MMP9MMP8
SCHEMBL7144799 0.82 CA2 (0.38) CA2MMP1MMP2MMP9MMP8
SCHEMBL29910639 0.81 CA2 (0.43) CA2MMP1MMP2MMP9MMP8
SCHEMBL1068424 0.80 CA2 (0.35) CA2MMP1MMP2MMP9MMP8
SCHEMBL9340018 0.79 CA2 (0.40) CA2MMP1MMP2MMP9MMP8
SCHEMBL10368080 0.79 CA2 (0.31) CA2MMP1MMP2MMP9MMP8
SCHEMBL10368095 0.74 MEN1 (0.33) CA2
SCHEMBL7630351 0.74 CA2 (0.38) CA2MMP1MMP2MMP9MMP8

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-4255299-A ESTERIFYING MALEIC ACID PARTIAL ESTER GROUPS OF COPOLYMER WITH EPOXY COMPOUND DAIKIN KOGYO CO., LTD. (JP) 1981-03-10 US disclosed