SCHEMBL7394694

SCHEMBL7394694

CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)OCC)CCN(C(=O)C3(C)COC(C)(C)OC3)CC2)cc1.CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)OCC)CCN(C(=O)C3(C)COC(C)(C)OC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 19/20 0.59
▸ MMP2 P08253 17/20 0.59
▸ MMP13 P45452 16/20 0.59
▸ MMP14 P50281 14/20 0.59
▸ MMP1 P03956 12/20 0.59
▸ MMP9 P14780 8/20 0.59

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
SCHEMBL6263908 1.00 ADAM17 (0.59) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6265852 0.90 ADAM17 (0.62) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL3941841 0.87 ADAM17 (0.77) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6265584 0.82 ADAM17 (0.77) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6264808 0.82 ADAM17 (0.68) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6264777 0.81 ADAM17 (0.61) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6262662 0.80 ADAM17 (0.62) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6266870 0.80 ADAM17 (0.59) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6263815 0.80 ADAM17 (0.62) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6262945 0.79 MMP2 (0.67) ADAM17MMP2MMP13MMP14MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — WO disclosed
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