SCHEMBL7420565

SCHEMBL7420565

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.62
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
AAK1 Q2M2I8 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CAPN1 P07384 1/20 0.43
MMP1 P03956 6/20 0.43
MMP2 P08253 3/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43

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
SCHEMBL7420574 1.00 MMP3 (0.62) MMP3CTSLCTSBCTSSCTSK
SCHEMBL6961003 0.83 MMP3 (0.65) MMP3CTSSCA1CA2CA9
SCHEMBL6960997 0.83 MMP3 (0.65) MMP3CTSSCA1CA2CA9
SCHEMBL7423362 0.81 MMP3 (0.67) MMP3CA1CA2CA9MMP1
SCHEMBL7423375 0.81 MMP3 (0.67) MMP3CA1CA2CA9MMP1
SCHEMBL6957813 0.80 MMP3 (0.46) MMP3CA1CA2CA9MMP1
SCHEMBL6961636 0.79 CTSK (0.59) MMP3CTSLCTSBCTSSCTSK
SCHEMBL6961631 0.79 CTSK (0.59) MMP3CTSLCTSBCTSSCTSK
SCHEMBL6965221 0.77 CA1 (0.44) MMP3CA1CA2CA9MMP1
SCHEMBL6961552 0.76 MMP3 (0.64) MMP3CTSSCTSKCA1CA2

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