SCHEMBL7987513

SCHEMBL7987513

O=C(O)C[C@@H](CCCc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.59
NMBR P28336 4/20 0.58
MMP2 P08253 4/20 0.57
MMP8 P22894 3/20 0.57
MMP1 P03956 2/20 0.57
MMP9 P14780 2/20 0.54
KMT2A Q03164 1/20 0.52

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
SCHEMBL7999735 0.93 MMP8 (0.65) BRS3MMP2MMP8MMP1MMP9
SCHEMBL8000479 0.92 BRS3 (0.65) BRS3NMBRMMP2MMP8MMP1
SCHEMBL7996645 0.90 NMBR (0.55) BRS3NMBRMMP2MMP8MMP1
SCHEMBL8000362 0.89 BRS3 (0.61) BRS3NMBRMMP2MMP8MMP1
SCHEMBL8000365 0.89 MMP2 (0.57) MMP2MMP8MMP1
SCHEMBL8000270 0.89 BRS3 (0.57) BRS3NMBRMMP2MMP8MMP1
SCHEMBL7986870 0.89 BRS3 (0.59) BRS3NMBRMMP2MMP8MMP1
SCHEMBL7995498 0.85 MMP2 (0.62) BRS3NMBRMMP2MMP8MMP1
SCHEMBL7998273 0.85 MMP2 (0.57) BRS3NMBRMMP2MMP8MMP1
SCHEMBL8000473 0.85 MMP8 (0.71) BRS3MMP2MMP8MMP1MMP9

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