SCHEMBL7350096

SCHEMBL7350096

CC(C)(C)[Si](C)(C)ONC(=O)[C@@H]1C[S@@+]([O-])CCN1S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 15/20 0.41
▸ MMP3 P08254 10/20 0.41
▸ MMP7 P09237 9/20 0.41
▸ MMP13 P45452 12/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP9 P14780 9/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ MMP8 P22894 1/20 0.37
▸ MMP14 P50281 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
SCHEMBL7339164 0.84 MMP1 (0.51) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7347544 0.83 MMP1 (0.57) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7349146 0.83 MMP1 (0.57) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7408195 0.83 MMP1 (0.43) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL6337141 0.77 MMP1 (0.64) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL6434571 0.75 MMP1 (0.56) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7345291 0.74 MMP1 (0.67) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7344951 0.73 MMP1 (0.46) MMP1MMP3MMP7MMP13MMP9
SCHEMBL6432038 0.72 MMP1 (0.60) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL6337761 0.71 MMP3 (0.47) MMP1MMP3MMP7MMP13ADAM17

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-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
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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