SCHEMBL29670948

SCHEMBL29670948

Cc1ccc(S)cc1.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 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.37
CA1 P00915 12/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
GAA P10253 1/20 0.37
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL6743597 0.98 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL4399560 0.83 HSD11B1 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL2482919 0.83 RORA (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL3914557 0.82 CA2 (0.36) CA2CA1MMP1MMP2MMP9
Benzenethiol SCHEMBL29745974 0.81 CA2 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL4392561 0.81 HSD11B1 (0.41) CA2CA1MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL6248784 0.81 CA2 (0.42) CA2CA1MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL1455936 0.79 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL29670941 0.77 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL8437168 0.76 CA2 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326744-B1 METAL COMPOSITIONS AND METHODS OF MAKING SAME PRYOG LLC (US) 2022-06-01 EP claimed