SCHEMBL1923926

SCHEMBL1923926

C[C@H](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.38
CA1 P00915 7/20 0.38
MMP1 P03956 7/20 0.38
MMP2 P08253 7/20 0.38
MMP9 P14780 7/20 0.38
MMP8 P22894 7/20 0.38
MMP13 P45452 7/20 0.38
F2 P00734 4/20 0.33
PRSS1 P07477 4/20 0.33
PRSS2 P07478 4/20 0.33
PRSS3 P35030 4/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL3770785 1.00 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL1784835 0.82 CA12 (0.36) CA12CA14
SCHEMBL1923604 0.82 CA12 (0.36) CA12CA14
SCHEMBL3761384 0.82 CA12 (0.36) CA12CA14
SCHEMBL3756191 0.80 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL3756194 0.80 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL575405 0.74 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL4461257 0.74 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL576166 0.72 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL10890446 0.72 ALDH1A1 (0.41) CA2CA1CA12CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190809-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS UNIV ALBERT LUDWIGS FREIBURG (DE) 2011-06-08 EP disclosed
EP-2190809-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS Albert-Ludwigs-Universität Freiburg (DE) 2010-06-02 EP disclosed
WO-2009040054-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed