SCHEMBL8445730

SCHEMBL8445730

C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 10/20 0.59
▸ MMP1 P03956 8/20 0.59
▸ MMP13 P45452 8/20 0.59
▸ MMP9 P14780 7/20 0.59
▸ MMP3 P08254 7/20 0.59
▸ MMP7 P09237 6/20 0.59
▸ MMP14 P50281 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ ALPL P05186 1/20 0.45
▸ ALPI P09923 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.44

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
SCHEMBL3615326 0.86 MMP2 (0.61) MMP2MMP1MMP13MMP9MMP3
SCHEMBL8283236 0.86 MMP2 (0.61) MMP2MMP1MMP13MMP9MMP3
SCHEMBL1656896 0.86 MMP2 (0.61) MMP2MMP1MMP13MMP9MMP3
SCHEMBL1185524 0.86 MMP2 (0.50) MMP2MMP1MMP13MMP9MMP3
SCHEMBL27465878 0.86 ALDH1A1 (0.50) MMP2MMP1MMP13MMP9MMP3
SCHEMBL1186251 0.86 MMP2 (0.50) MMP2MMP1MMP13MMP9MMP3
SCHEMBL789823 0.85 ADAMTS4 (0.54) MMP2MMP1MMP13MMP9MMP3
SCHEMBL29540524 0.84 HSD17B10 (0.54) MMP2MMP1MMP13MMP9MMP3
SCHEMBL7897307 0.84 ADAMTS4 (0.47) MMP2MMP1MMP13MMP9MMP3
SCHEMBL7763738 0.83 MMP2 (0.68) MMP2MMP1MMP13MMP9MMP3

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 — — EP disclosed
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