SCHEMBL8300042

SCHEMBL8300042

C=CC[C@H](C(=C)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.54
MMP3 P08254 15/20 0.54
MMP7 P09237 14/20 0.54
MMP1 P03956 12/20 0.54
MMP8 P22894 2/20 0.53
ADAM17 P78536 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
TDP1 Q9NUW8 1/20 0.42
FCER2 P06734 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL12714160 0.93 MMP2 (0.63) MMP2MMP3MMP7MMP1MMP8
SCHEMBL8299410 0.90 MMP2 (0.53) MMP2MMP3MMP7MMP1MMP8
SCHEMBL8298960 0.90 MMP2 (0.53) MMP2MMP3MMP7MMP1MMP8
SCHEMBL12714163 0.83 MMP2 (0.62) MMP2MMP3MMP7MMP1MMP8
SCHEMBL12714162 0.83 MMP2 (0.62) MMP2MMP3MMP7MMP1MMP8
SCHEMBL8297611 0.75 MMP1 (0.40) MMP2MMP3MMP7MMP1MMP8
SCHEMBL1609620 0.73 LMNA (0.42) TDP1LMNATSHR
SCHEMBL15875342 0.73 TDP1 (0.55) TDP1LMNATSHR
SCHEMBL4424468 0.71 MMP2 (0.86) MMP2MMP3MMP7MMP1MMP8
SCHEMBL12714171 0.70 MMP1 (0.48) MMP2MMP3MMP7MMP1MMP8

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-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO disclosed