SCHEMBL8000270

SCHEMBL8000270

O=C(O)C[C@@H](CCCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 8/20 0.57
NMBR P28336 3/20 0.56
MMP2 P08253 6/20 0.56
MMP1 P03956 4/20 0.56
MMP8 P22894 3/20 0.56
MMP9 P14780 2/20 0.55
KMT2A Q03164 1/20 0.53
CA2 P00918 1/20 0.51
MMP3 P08254 2/20 0.51

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
SCHEMBL8000309 0.93 MMP8 (0.65) BRS3MMP2MMP1MMP8MMP9
SCHEMBL8000479 0.93 BRS3 (0.65) BRS3NMBRMMP2MMP1MMP8
SCHEMBL8000162 0.93 NMBR (0.54) BRS3NMBRMMP2MMP1MMP8
SCHEMBL8000362 0.91 BRS3 (0.61) BRS3NMBRMMP2MMP1MMP8
SCHEMBL7991571 0.90 NMBR (0.54) BRS3NMBRMMP2MMP8MMP9
SCHEMBL7986870 0.90 BRS3 (0.59) BRS3NMBRMMP2MMP1MMP8
SCHEMBL7987513 0.89 BRS3 (0.59) BRS3NMBRMMP2MMP1MMP8
SCHEMBL7995498 0.87 MMP2 (0.62) BRS3NMBRMMP2MMP1MMP8
SCHEMBL7998273 0.87 MMP2 (0.57) BRS3NMBRMMP2MMP1MMP8
SCHEMBL7998151 0.86 MMP2 (0.60) MMP2MMP1MMP8MMP9MMP3

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