SCHEMBL7408195

SCHEMBL7408195

CC1(C)[C@H](C(=O)NO[Si](C)(C)C(C)(C)C)N(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)CC[S+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 17/20 0.43
▸ MMP3 P08254 13/20 0.43
▸ MMP2 P08253 13/20 0.43
▸ MMP7 P09237 12/20 0.43
▸ MMP13 P45452 12/20 0.43
▸ MMP9 P14780 7/20 0.43
▸ MMP8 P22894 6/20 0.43
▸ ADAM17 P78536 4/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL6863639 0.86 MMP1 (0.56) MMP1MMP3MMP2MMP7MMP13
SCHEMBL6337141 0.84 MMP1 (0.64) MMP1MMP3MMP2MMP7MMP13
SCHEMBL7350096 0.83 MMP1 (0.41) MMP1MMP3MMP2MMP7MMP13
SCHEMBL6339420 0.78 MMP1 (0.68) MMP1MMP3MMP2MMP7MMP13
SCHEMBL6336327 0.77 MMP1 (0.56) MMP1MMP3MMP2MMP7MMP13
SCHEMBL7349146 0.77 MMP1 (0.57) MMP1MMP3MMP2MMP7MMP13
SCHEMBL7347544 0.77 MMP1 (0.57) MMP1MMP3MMP2MMP7MMP13
SCHEMBL7765223 0.75 MMP1 (0.56) MMP1MMP3MMP2MMP7MMP13
SCHEMBL7765228 0.75 MMP1 (0.56) MMP1MMP3MMP2MMP7MMP13
SCHEMBL6267902 0.75 MMP1 (0.67) MMP1MMP3MMP2MMP7MMP13

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-0874830-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1998-11-04 — — EP disclosed
US-5753653-A Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses AGOURON PHARMACEUTICALS, INC. (US) 1998-05-19 — — US disclosed
WO-1997020824-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1997-06-12 — — WO disclosed
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