SCHEMBL8531817

SCHEMBL8531817

O=S(=O)(O)C(F)(C(F)(F)F)C(F)(F)C(F)(F)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 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
MMP1 P03956 3/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP13 P45452 3/20 0.43
F2 P00734 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL8535675 1.00 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL296565 1.00 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL15648179 1.00 CA2 (0.43) CA2CA1MMP1MMP2MMP9
Ammonia Solution, Strong SCHEMBL1579985 0.97 CA2 (0.41) CA2CA1MMP1MMP2MMP9
Ammonia Solution, Strong SCHEMBL6765844 0.97 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL466477 0.97 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL29120349 0.92 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL2956524 0.92 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL2634716 0.92 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL31261894 0.90 CA2 (0.43) 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
US-5728501-A POLYMERS OF ETHYLENICALLY UNSATURATED MONMERS SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed