SCHEMBL28484451

SCHEMBL28484451

COC(=O)C(F)(F)S(=O)(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.33
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
CA9 Q16790 1/20 0.32
EPHX2 P34913 2/20 0.32
HSD11B1 P28845 1/20 0.31
MAPK1 P28482 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
SCHEMBL5533834 0.78 SCN9A (0.38) SCN9A
Adamantane SCHEMBL547077 0.76 ALDH1A1 (0.40) CA2CA9EPHX2
SCHEMBL15205963 0.76 CA1 (0.31) CA1CA2EPHX2
SCHEMBL4892791 0.76 CA1 (0.32) CA1CA2HSD11B1
SCHEMBL3822751 0.72 GLA (0.35) SCN9AEPHX1CA2MMP2MMP9
SCHEMBL18195928 0.70 EPHX1 (0.36) SCN9AEPHX1CA1CA2EPHX2
SCHEMBL17782144 0.69 HSD11B1 (0.37) EPHX1CA1CA2EPHX2HSD11B1
SCHEMBL15800908 0.69 ALDH1A1 (0.33)
SCHEMBL107298 0.69 HSD11B1 (0.40) EPHX1EPHX2HSD11B1
SCHEMBL444398 0.69 CA2 (0.41) CA1CA2MMP2MMP9

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
CN-105301905-B Chemically amplified positive resist composition and patterning method 信越化学工业株式会社 2020-11-20 CN disclosed