SCHEMBL9133243

SCHEMBL9133243

O=C(O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)O.[Ni]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
MMP1 P03956 1/20 0.62
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
MMP13 P45452 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 2/20 0.56
F2 P00734 3/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
POLB P06746 1/20 0.55
CA12 O43570 7/20 0.53
CA9 Q16790 7/20 0.53
FABP3 P05413 1/20 0.53
FABP4 P15090 1/20 0.53

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
SCHEMBL989207 0.98 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL11348903 0.98 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL30444901 0.98 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL9132788 0.95 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL9135099 0.95 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL9134578 0.95 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL9134117 0.95 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL9132217 0.95 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL9133026 0.95 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL9134360 0.95 CA1 (0.62) 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
US-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed