SCHEMBL8745503

SCHEMBL8745503

CC(C)(S(=O)(=O)Cc1ccccc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
CA1 P00915 2/20 0.52
FAAH O00519 1/20 0.52
ELANE P08246 1/20 0.52
PRTN3 P24158 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
MMP1 P03956 2/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 2/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL8103623 0.86 CA2 (0.52) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL8745506 0.86 CA1 (0.44) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL22895119 0.81 PRSS1 (0.47) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL28142782 0.79 CA2 (0.54) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL22955288 0.78 CA1 (0.44) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL2198863 0.77 PRSS1 (0.58) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL6990176 0.77 CYP2C19 (0.47) CA2PRSS1PRSS2PRSS3CA1
Sulfonmethane SCHEMBL5496762 0.75 FAAH (0.41) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL18650118 0.74 KMT2A (0.57) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL92893 0.73 CA2 (0.58) CA2PRSS1PRSS2PRSS3CA1

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
EP-0654149-B1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH HOECHST AG (DE) 1997-02-05 EP disclosed