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Sugi Predict / Compounds / SCHEMBL7110441

SCHEMBL7110441

SCHEMBL7110441

CCC[C@](CCCc1cccc(C)c1-c1ccccc1)(C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1)C(C)(C)C)[C@H](O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 20/20 0.41
▸ MMP3 P08254 12/20 0.41
▸ BMP1 P13497 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40

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
SCHEMBL6437736 0.82 MMP2 (0.44) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7112536 0.81 MMP2 (0.39) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7112793 0.78 MMP2 (0.39) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7108998 0.77 MMP2 (0.49) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7112585 0.77 MMP2 (0.39) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7114072 0.76 MMP2 (0.69) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7110039 0.76 MMP2 (0.69) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7109315 0.74 MMP2 (0.44) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7110080 0.74 MMP2 (0.42) MMP2MMP3BMP1MMP1MMP9
SCHEMBL7115395 0.73 MMP2 (0.34) MMP2MMP3BMP1MMP1MMP9

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-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 — — EP claimed
US-6350907-B1 PEPTIDE ENZYME INHIBITORS PFIZER INC 2002-02-26 — — US claimed
EP-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 — — EP disclosed