SCHEMBL8000473

SCHEMBL8000473

O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)NO

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 9/20 0.71
MMP9 P14780 8/20 0.71
MMP2 P08253 8/20 0.71
LTA4H P09960 1/20 0.67
MMP1 P03956 9/20 0.65
BRS3 P32247 2/20 0.64
MMP7 P09237 1/20 0.63

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
SCHEMBL7997643 0.97 MMP8 (0.69) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8001883 0.94 MMP8 (0.65) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8000309 0.93 MMP8 (0.65) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8000367 0.93 MMP8 (0.67) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL7999735 0.93 MMP8 (0.65) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8003951 0.92 MMP8 (0.66) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8000479 0.92 BRS3 (0.65) MMP8MMP9MMP2MMP1BRS3
SCHEMBL7999755 0.92 MMP8 (0.65) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL7998161 0.90 MMP8 (0.62) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8003728 0.89 MMP2 (0.62) MMP8MMP9MMP2LTA4HMMP1

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-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed