SCHEMBL7423321

SCHEMBL7423321

CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 12/20 0.57
▸ MMP1 P03956 11/20 0.57
▸ MMP2 P08253 10/20 0.57
▸ MMP13 P45452 10/20 0.57
▸ MMP3 P08254 9/20 0.57
▸ MMP7 P09237 9/20 0.57
▸ MMP14 P50281 1/20 0.55
▸ ADAMTS4 O75173 5/20 0.54
▸ MMP8 P22894 1/20 0.47
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ ADAM17 P78536 1/20 0.44

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
SCHEMBL1656896 0.94 MMP2 (0.61) MMP9MMP1MMP2MMP13MMP3
SCHEMBL3615326 0.94 MMP2 (0.61) MMP9MMP1MMP2MMP13MMP3
SCHEMBL8283236 0.94 MMP2 (0.61) MMP9MMP1MMP2MMP13MMP3
SCHEMBL7867746 0.90 MMP2 (0.68) MMP9MMP1MMP2MMP13MMP3
SCHEMBL7763738 0.90 MMP2 (0.68) MMP9MMP1MMP2MMP13MMP3
SCHEMBL6394008 0.85 MMP9 (0.64) MMP9MMP1MMP2MMP13MMP3
SCHEMBL5093836 0.85 MMP9 (0.64) MMP9MMP1MMP2MMP13MMP3
SCHEMBL7087648 0.85 MMP9 (0.64) MMP9MMP1MMP2MMP13MMP3
SCHEMBL7867268 0.82 MMP2 (0.71) MMP9MMP1MMP2MMP13MMP3
SCHEMBL14176097 0.81 MMP9 (0.47) MMP9MMP1MMP2MMP13MMP3

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
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 — — US disclosed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 — — WO disclosed
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