SCHEMBL9574355

SCHEMBL9574355

O=S(=O)(Cc1ccccc1)C(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
FAAH O00519 1/20 0.47
ELANE P08246 1/20 0.47
PRTN3 P24158 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL8778816 0.82 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL6390788 0.79 POLB (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL8778749 0.78 HSD17B10 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL5049913 0.75 FPR2 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL31171043 0.74 HSD17B10 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL750558 0.72 CA2 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL3252117 0.72 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL28657406 0.72 PRSS1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL3626579 0.72 CA2 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL6558824 0.72 HSD17B10 (0.49) CA1CA2MMP1MMP2MMP9

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-0310944-B1 BISOXETHYLSULFONYLMETHYL ANILINES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-13 EP disclosed