SCHEMBL7998151

SCHEMBL7998151

O=C(O)C[C@@H](CCCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.60
MMP1 P03956 11/20 0.60
MMP3 P08254 11/20 0.60
MMP8 P22894 2/20 0.55
MMP9 P14780 1/20 0.55
FCER2 P06734 1/20 0.55
MMP7 P09237 1/20 0.53
CTNNB1 P35222 1/20 0.53

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
SCHEMBL8000419 0.92 FCER2 (0.67) MMP2MMP1MMP3MMP8MMP9
SCHEMBL7997654 0.88 CTSB (0.52) MMP2MMP1MMP3MMP8MMP9
SCHEMBL8000270 0.86 BRS3 (0.57) MMP2MMP1MMP3MMP8MMP9
SCHEMBL7998845 0.86 MMP2 (0.64) MMP2MMP1MMP3MMP8MMP9
SCHEMBL5558619 0.84 MMP2 (0.75) MMP2MMP1MMP3MMP8MMP9
SCHEMBL5558613 0.84 MMP2 (0.75) MMP2MMP1MMP3MMP8MMP9
SCHEMBL8000365 0.83 MMP2 (0.57) MMP2MMP1MMP3MMP8FCER2
SCHEMBL5556624 0.80 FCER2 (0.64) MMP2MMP1MMP3MMP8MMP9
SCHEMBL5556618 0.80 FCER2 (0.64) MMP2MMP1MMP3MMP8MMP9
SCHEMBL4838659 0.79 MDM4 (0.53) MMP2MMP8MMP9CTNNB1

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