SCHEMBL7995498

SCHEMBL7995498

CCCc1ccc(-c2ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCCc3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.62
MMP8 P22894 8/20 0.62
MMP1 P03956 4/20 0.62
MMP9 P14780 6/20 0.57
BRS3 P32247 5/20 0.57
NMBR P28336 3/20 0.57
KMT2A Q03164 1/20 0.55
MMP7 P09237 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
SCHEMBL8000362 0.96 BRS3 (0.61) MMP2MMP8MMP1MMP9BRS3
SCHEMBL8000367 0.93 MMP8 (0.67) MMP2MMP8MMP1MMP9MMP7
SCHEMBL7998273 0.93 MMP2 (0.57) MMP2MMP8MMP1MMP9BRS3
SCHEMBL8000479 0.93 BRS3 (0.65) MMP2MMP8MMP1MMP9BRS3
SCHEMBL7998272 0.92 MMP2 (0.56) MMP2MMP8MMP1MMP9BRS3
SCHEMBL7997681 0.91 NMBR (0.54) MMP2MMP8MMP1MMP9BRS3
SCHEMBL7986870 0.90 BRS3 (0.59) MMP2MMP8MMP1MMP9BRS3
SCHEMBL8000344 0.89 BRS3 (0.54) MMP2MMP8MMP1MMP9BRS3
SCHEMBL7997643 0.89 MMP8 (0.69) MMP2MMP8MMP1MMP9BRS3
SCHEMBL8003758 0.88 NMBR (0.57) MMP2MMP8MMP1MMP9BRS3

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