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SCHEMBL7359889

SCHEMBL7359889

CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)OCc3ccccc3)CC2)cc1.CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 18/20 0.76
▸ MMP2 P08253 16/20 0.76
▸ MMP13 P45452 15/20 0.76
▸ MMP14 P50281 14/20 0.76
▸ MMP1 P03956 11/20 0.76
▸ MMP9 P14780 7/20 0.76

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
SCHEMBL6262940 1.00 ADAM17 (0.76) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6263931 0.91 ADAM17 (0.62) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6266870 0.88 ADAM17 (0.59) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL3948501 0.88 ADAM17 (0.84) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6266477 0.87 ADAM17 (0.85) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6263670 0.86 MMP2 (0.84) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6265172 0.86 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL6265578 0.85 ADAM17 (0.73) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL7394685 0.85 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP1
SCHEMBL3937292 0.85 ADAM17 (1.00) 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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