SCHEMBL7423329

SCHEMBL7423329

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.59
MMP2 P08253 8/20 0.59
MMP8 P22894 7/20 0.59
MMP9 P14780 6/20 0.59
MMP3 P08254 13/20 0.58

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
SCHEMBL7361333 0.95 MMP3 (0.64) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7361337 0.95 MMP3 (0.64) MMP1MMP2MMP8MMP9MMP3
SCHEMBL8896527 0.91 MMP3 (0.57) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7400008 0.89 MMP1 (0.59) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7394276 0.89 MMP3 (0.55) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7364811 0.88 CTSK (0.59) MMP1MMP2MMP3
SCHEMBL7365921 0.88 CTSK (0.59) MMP1MMP2MMP3
SCHEMBL6968692 0.87 MMP3 (0.56) MMP1MMP2MMP8MMP9MMP3
SCHEMBL6968687 0.87 MMP3 (0.56) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7357736 0.87 MMP3 (0.65) MMP1MMP2MMP8MMP9MMP3

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