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SCHEMBL7359871

SCHEMBL7359871

CC(C)C[C@@H](C(=O)Nc1n[nH]c(=S)s1)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 13/20 0.44
▸ MMP1 P03956 12/20 0.44
▸ MMP2 P08253 5/20 0.42
▸ MMP9 P14780 4/20 0.40
▸ MMP8 P22894 4/20 0.40
▸ LTA4H P09960 2/20 0.39

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
SCHEMBL8902722 0.90 MMP3 (0.46) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7366301 0.85 MMP3 (0.47) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7388232 0.82 MMP3 (0.47) MMP3MMP1MMP2LTA4H
SCHEMBL7358596 0.80 MMP3 (0.46) MMP3MMP1MMP2LTA4H
SCHEMBL7358575 0.78 PTPN1 (0.46) MMP3MMP1LTA4H
SCHEMBL7481678 0.78 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7358578 0.77 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7395690 0.77 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL7361471 0.76 MMP3 (0.45) MMP3MMP1MMP2
SCHEMBL7562073 0.76 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8

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-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed