SCHEMBL7426200

SCHEMBL7426200

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.59
MMP1 P03956 8/20 0.56
MMP2 P08253 4/20 0.55
CAPN1 P07384 2/20 0.54
MMP9 P14780 3/20 0.53
MMP8 P22894 3/20 0.53
CTSL P07711 2/20 0.52
CTSK P43235 2/20 0.52
CTSS P25774 1/20 0.51
HTRA1 Q92743 1/20 0.51

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
SCHEMBL7357865 0.97 MMP3 (0.62) MMP3MMP1MMP2CAPN1MMP9
SCHEMBL7357861 0.97 MMP3 (0.62) MMP3MMP1MMP2CAPN1MMP9
SCHEMBL7358578 0.93 MMP3 (0.56) MMP3MMP1MMP2CAPN1MMP9
SCHEMBL6961636 0.91 CTSK (0.59) MMP3MMP1MMP2CTSLCTSK
SCHEMBL6961631 0.91 CTSK (0.59) MMP3MMP1MMP2CTSLCTSK
SCHEMBL6964283 0.89 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6964276 0.89 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7357689 0.87 MMP1 (0.68) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7357677 0.87 MMP1 (0.68) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7365921 0.86 CTSK (0.59) MMP3MMP1MMP2CTSLCTSK

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed