SCHEMBL8210480

SCHEMBL8210480

COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
POLB P06746 1/20 0.61
MMP3 P08254 14/20 0.60
MMP1 P03956 13/20 0.60
MMP7 P09237 9/20 0.60
MMP9 P14780 2/20 0.60
MMP2 P08253 8/20 0.59
MMP13 P45452 9/20 0.57
HSD11B1 P28845 1/20 0.55
MMP8 P22894 1/20 0.52
ADAM17 P78536 1/20 0.51

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
SCHEMBL8210485 1.00 CA12 (0.61) CA12CA1CA2CA9POLB
SCHEMBL8498279 0.88 MMP1 (0.62) POLBMMP3MMP1MMP7MMP9
SCHEMBL8144145 0.88 MMP1 (0.62) POLBMMP3MMP1MMP7MMP9
SCHEMBL31630158 0.86 CA12 (0.60) CA12CA1CA2CA9MMP3
SCHEMBL8206200 0.86 CA12 (0.60) CA12CA1CA2CA9MMP3
SCHEMBL11458196 0.85 POLB (0.58) CA12CA1CA2CA9POLB
SCHEMBL9379038 0.85 POLB (0.58) CA12CA1CA2CA9POLB
SCHEMBL9215368 0.85 POLB (0.58) CA12CA1CA2CA9POLB
SCHEMBL9215362 0.85 POLB (0.58) CA12CA1CA2CA9POLB
SCHEMBL21551179 0.85 POLB (0.58) CA12CA1CA2CA9POLB

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-6121272-A Bidentate metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed