SCHEMBL4014142

SCHEMBL4014142

CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N3CCN(C)CC3)cc12)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 20/20 1.00
▸ MMP13 P45452 10/20 0.70
▸ MMP2 P08253 2/20 0.70
▸ MMP3 P08254 2/20 0.70
▸ MMP9 P14780 2/20 0.70
▸ MMP14 P50281 2/20 0.70
▸ ADAMTS4 O75173 1/20 0.70
▸ MMP1 P03956 1/20 0.70
▸ MMP7 P09237 1/20 0.70
▸ MMP8 P22894 1/20 0.70
▸ ADAM17 P78536 1/20 0.70
▸ ADAMTS5 Q9UNA0 1/20 0.70

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
SCHEMBL4157503 0.91 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4016079 0.90 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4011340 0.89 MMP12 (0.80) MMP12MMP13MMP2MMP3MMP9
SCHEMBL23693708 0.86 MMP12 (0.76) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4011706 0.83 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL31490263 0.83 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012495 0.83 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL31490104 0.81 MMP12 (0.90) MMP12MMP13MMP2MMP3MMP9
SCHEMBL8202864 0.81 MMP12 (0.90) MMP12MMP13MMP2MMP3MMP9
SCHEMBL23693574 0.81 MMP12 (0.68) MMP12MMP13MMP2MMP3MMP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 — — EP claimed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 — — WO claimed
EP-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 — — EP disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 — — WO disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 — — WO disclosed
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