SCHEMBL6267645

SCHEMBL6267645

CC#CCOc1ccc(SC2(OC(=O)NO)CCN(Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 19/20 0.62
▸ MMP13 P45452 14/20 0.62
▸ MMP1 P03956 10/20 0.62
▸ MMP9 P14780 8/20 0.62
▸ MMP2 P08253 3/20 0.50
▸ MMP14 P50281 2/20 0.50

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
SCHEMBL3948423 0.87 ADAM17 (0.68) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6694069 0.82 ADAM17 (0.62) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6268734 0.81 ADAM17 (0.76) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6263128 0.80 ADAM17 (0.55) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6265558 0.76 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6261484 0.74 ADAM17 (0.76) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6266457 0.74 ADAM17 (0.66) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6266888 0.74 ADAM17 (0.76) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6264631 0.74 ADAM17 (0.65) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6268610 0.74 ADAM17 (0.77) ADAM17MMP13MMP1MMP9MMP2

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-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 — — EP claimed
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