SCHEMBL7999735

SCHEMBL7999735

O=C(C[C@@H](CCCc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)NO

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 9/20 0.65
MMP9 P14780 8/20 0.65
MMP2 P08253 8/20 0.65
LTA4H P09960 1/20 0.60
MMP1 P03956 9/20 0.59
MMP7 P09237 1/20 0.58
BRS3 P32247 1/20 0.57

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
SCHEMBL7987513 0.93 BRS3 (0.59) MMP8MMP9MMP2MMP1BRS3
SCHEMBL8000473 0.93 MMP8 (0.71) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL7997643 0.90 MMP8 (0.69) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8006981 0.89 MMP1 (0.66) MMP8MMP9MMP2MMP1MMP7
SCHEMBL8000309 0.89 MMP8 (0.65) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8001883 0.89 MMP8 (0.65) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL7996645 0.88 NMBR (0.55) MMP8MMP9MMP2MMP1BRS3
SCHEMBL8000367 0.86 MMP8 (0.67) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8003951 0.85 MMP8 (0.66) MMP8MMP9MMP2LTA4HMMP1
SCHEMBL8000479 0.85 BRS3 (0.65) MMP8MMP9MMP2MMP1BRS3

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