SCHEMBL4423649

SCHEMBL4423649

O=[C]C=CS(=O)(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 3/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
CA9 Q16790 2/20 0.45
FAAH O00519 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
CA5A P35218 1/20 0.45
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL333923 1.00 CA2 (0.45) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL1120219 0.83 CA1 (0.44) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL1120216 0.83 CA1 (0.44) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL513627 0.74 PPARG (0.47) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL513626 0.74 PPARG (0.47) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL5973925 0.74 PPARG (0.47) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL4632246 0.73 CA2 (0.46) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL4632241 0.73 CA2 (0.46) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL9598177 0.73 CA1 (0.46) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL7119214 0.73 CA2 (0.54) CA2CA1PRSS1PRSS2PRSS3

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-2019819-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS Neobiotics AB (SE) 2009-02-04 EP disclosed
WO-2007129952-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS NEOBIOTICS AB (SE) 2007-11-15 WO disclosed