SCHEMBL17026726

SCHEMBL17026726

O=C(O)NCc1ccc(Oc2ccc(S(=O)(=O)CC3CO3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 18/20 0.58
▸ MMP1 P03956 3/20 0.58
▸ MMP8 P22894 12/20 0.58
▸ MMP9 P14780 17/20 0.46
▸ MMP14 P50281 14/20 0.46
▸ MMP3 P08254 5/20 0.46
▸ MMP7 P09237 4/20 0.46
▸ ADAM17 P78536 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
SCHEMBL17039173 0.84 MMP2 (0.55) MMP2MMP1MMP8MMP9MMP14
SCHEMBL17026735 0.83 MMP2 (0.82) MMP2MMP1MMP8MMP9MMP14
SCHEMBL10187462 0.82 MMP2 (0.67) MMP2MMP1MMP8MMP9MMP14
SCHEMBL10238686 0.81 MMP9 (0.71) MMP2MMP1MMP8MMP9MMP14
SCHEMBL17026751 0.80 MMP2 (0.56) MMP2MMP1MMP9MMP14
SCHEMBL4292169 0.80 MMP2 (0.67) MMP2MMP1MMP8MMP9MMP14
SCHEMBL10187427 0.80 MMP2 (0.60) MMP2MMP1MMP8MMP9MMP14
SCHEMBL12717348 0.79 MMP2 (0.69) MMP2MMP1MMP8MMP9MMP14
SCHEMBL313439 0.78 MMP2 (0.71) MMP2MMP1MMP8MMP9MMP14
SCHEMBL14727900 0.76 MMP2 (0.64) MMP2MMP1MMP8MMP9MMP14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107905-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS University of Notre Dame du Lac (US) 2016-12-28 — — EP disclosed
WO-2016044844-A1 ACCELERATION OF DIABETIC WOUND HEALING UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-03-24 — — WO disclosed
WO-2015127302-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-08-27 — — WO disclosed
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