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Sugi Predict / Compounds / SCHEMBL7357669

SCHEMBL7357669

SCHEMBL7357669

CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O)C(C(C)(C)C)C2)cc1.CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O)C(C(C)(C)C)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 17/20 0.69
▸ MMP13 P45452 16/20 0.69
▸ ADAM17 P78536 18/20 0.67
▸ MMP14 P50281 8/20 0.67
▸ MMP1 P03956 7/20 0.67
▸ MMP9 P14780 5/20 0.67

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
SCHEMBL3946153 1.00 MMP2 (0.69) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6265611 0.90 ADAM17 (0.69) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6266477 0.86 ADAM17 (0.85) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL4029664 0.85 ADAM17 (0.65) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6277321 0.85 MMP2 (0.70) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3941560 0.85 ADAM17 (0.63) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6263929 0.84 MMP2 (0.50) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6838381 0.84 MMP13 (0.52) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL7592643 0.84 ADAM17 (0.70) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3941954 0.84 ADAM17 (0.66) MMP2MMP13ADAM17MMP14MMP1

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