SCHEMBL6967981

SCHEMBL6967981

CC(C)C[C@@H](NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.55
MMP3 P08254 12/20 0.55
MMP2 P08253 9/20 0.52
MMP8 P22894 8/20 0.49
MMP9 P14780 7/20 0.49

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
SCHEMBL6967976 1.00 MMP1 (0.55) MMP1MMP3MMP2MMP8MMP9
SCHEMBL6961631 0.86 CTSK (0.59) MMP1MMP3MMP2
SCHEMBL6961636 0.86 CTSK (0.59) MMP1MMP3MMP2
SCHEMBL7357861 0.85 MMP3 (0.62) MMP1MMP3MMP2MMP8MMP9
SCHEMBL7357865 0.85 MMP3 (0.62) MMP1MMP3MMP2MMP8MMP9
SCHEMBL6964283 0.83 MMP3 (0.65) MMP1MMP3MMP2MMP8MMP9
SCHEMBL6964276 0.83 MMP3 (0.65) MMP1MMP3MMP2MMP8MMP9
SCHEMBL7426200 0.82 MMP3 (0.59) MMP1MMP3MMP2MMP8MMP9
SCHEMBL6968692 0.82 MMP3 (0.56) MMP1MMP3MMP2MMP8MMP9
SCHEMBL6968687 0.82 MMP3 (0.56) MMP1MMP3MMP2MMP8MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed