SCHEMBL8209700

SCHEMBL8209700

C=C(C)C(=O)OC(C)NS(=O)(=O)C(C)(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 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
MMP1 P03956 5/20 0.38
MMP2 P08253 5/20 0.38
MMP9 P14780 5/20 0.38
MMP8 P22894 5/20 0.38
MMP13 P45452 5/20 0.38
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL3459499 0.99 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL3820635 0.89 CA2 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL1778770 0.87 CA1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL7615808 0.86 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL9237821 0.85 CA1 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL4650786 0.82 CA1 (0.37) CA1CA2MMP1MMP2MMP9
SCHEMBL10064117 0.82 ALDH1A1 (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL3458873 0.81 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL6249688 0.74 CA2 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL3098764 0.73 TSHR (0.33) CA2ALDH1A1

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-0981567-A1 FLUOROCHEMICAL COMPOSITION COMPRISING A POLYMER DERIVED FROM A FLUOROCHEMICAL URETHANE (METH)ACRYLATE MONOMER FOR IMPARTING STAIN RELEASE PROPERTIES TO A SUBSTRATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-01 EP disclosed
WO-1998051727-A1 FLUOROCHEMICAL COMPOSITION COMPRISING A POLYMER DERIVED FROM A FLUOROCHEMICAL URETHANE (METH)ACRYLATE MONOMER FOR IMPARTING STAIN RELEASE PROPERTIES TO A SUBSTRATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-19 WO disclosed