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Sugi Predict / Compounds / SCHEMBL7111458

SCHEMBL7111458

SCHEMBL7111458

Cc1cc(CCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C)c2cccnc2)C(C)(C)C)[C@H](O)C(=O)NO)ccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 20/20 0.65
▸ MMP3 P08254 10/20 0.65
▸ MMP9 P14780 4/20 0.65
▸ MMP14 P50281 4/20 0.65
▸ MMP1 P03956 3/20 0.65
▸ MMP13 P45452 2/20 0.65
▸ BMP1 P13497 1/20 0.65

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
SCHEMBL7109407 0.92 MMP2 (0.75) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7108106 0.92 MMP2 (0.68) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7115510 0.90 MMP2 (0.62) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7108095 0.87 MMP2 (0.85) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7109598 0.86 MMP2 (0.73) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7115445 0.85 MMP2 (0.65) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7109219 0.85 MMP2 (0.65) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7110264 0.85 MMP2 (0.65) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7111114 0.85 MMP2 (0.64) MMP2MMP3MMP9MMP14MMP1
SCHEMBL7110218 0.84 MMP2 (0.63) MMP2MMP3MMP9MMP14MMP1

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-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 — — EP claimed
EP-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 — — EP disclosed