SCHEMBL7608470

SCHEMBL7608470

CC(=O)SC(CCN1C(=O)N(C)C(C)(C)C1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.40
MMP9 P14780 14/20 0.40
MMP3 P08254 8/20 0.40
MMP13 P45452 7/20 0.40
PLA2G7 Q13093 2/20 0.40
MMP1 P03956 8/20 0.38
MMP7 P09237 2/20 0.38
MMP14 P50281 2/20 0.38
MMP8 P22894 5/20 0.32
ADAM17 P78536 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL4824816 0.82 PLA2G7 (0.46) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL4820309 0.82 PLA2G7 (0.46) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL4820321 0.82 PLA2G7 (0.46) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL4822556 0.76 PLA2G7 (0.43) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL6546709 0.76 MMP2 (0.36) MMP2MMP9KMT2A
SCHEMBL4818302 0.76 PLA2G7 (0.43) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL6546698 0.76 MMP2 (0.36) MMP2MMP9KMT2A
SCHEMBL6947897 0.76 CPB2 (0.48) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7028144 0.74 MMP2 (0.44) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7604548 0.71 MMP3 (0.63) MMP2MMP9MMP3MMP13MMP1

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-0859784-B1 THIO-SUBSTITUTED PEPTIDES AS INHIBITORS FOR METALLOPROTEINASES AND TNF LIBERATION DARWIN DISCOVERY LTD (GB) 2002-12-18 EP disclosed