SCHEMBL7996727

SCHEMBL7996727

CC(=O)c1ccc(-c2ccc(CCC[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 6/20 0.53
MMP2 P08253 3/20 0.52
MMP8 P22894 3/20 0.52
MMP9 P14780 2/20 0.52
BRS3 P32247 5/20 0.51
KMT2A Q03164 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL8003758 0.96 NMBR (0.57) NMBRMMP2MMP8MMP9BRS3
SCHEMBL8003779 0.93 NMBR (0.54) NMBRMMP2MMP8MMP9BRS3
SCHEMBL7997681 0.93 NMBR (0.54) NMBRMMP2MMP8MMP9BRS3
SCHEMBL8007001 0.93 NMBR (0.61) NMBRMMP2MMP8MMP9BRS3
SCHEMBL7998272 0.91 MMP2 (0.56) NMBRMMP2MMP8MMP9BRS3
SCHEMBL7995483 0.91 NMBR (0.55) NMBRMMP2MMP8MMP9BRS3
SCHEMBL7999691 0.90 NMBR (0.51) NMBRMMP2MMP8MMP9BRS3
SCHEMBL7999755 0.89 MMP8 (0.65) MMP2MMP8MMP9MMP1
SCHEMBL7991571 0.88 NMBR (0.54) NMBRMMP2MMP8MMP9BRS3
SCHEMBL7996645 0.86 NMBR (0.55) NMBRMMP2MMP8MMP9BRS3

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