SCHEMBL8360549

SCHEMBL8360549

CCCCCCCCCC(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC)C(C)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.56
MMP8 P22894 9/20 0.56
MMP9 P14780 7/20 0.56
EDNRA P25101 1/20 0.55
MMP1 P03956 8/20 0.54
MMP3 P08254 2/20 0.52
MMP14 P50281 3/20 0.51
CCKBR P32239 2/20 0.51
MAGI3 Q5TCQ9 1/20 0.51
CASP1 P29466 1/20 0.51
CASP3 P42574 1/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
CASP10 Q92851 1/20 0.51
CCKAR P32238 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL8242045 0.95 EDNRA (0.55) MMP2MMP8MMP9EDNRAMMP1
SCHEMBL8363817 0.92 MMP2 (0.62) MMP2MMP8MMP9MMP1MMP3
SCHEMBL14177783 0.89 CCKBR (0.61) MMP2MMP8MMP9MMP1CCKBR
SCHEMBL8245264 0.88 MMP2 (0.58) MMP2MMP8MMP9MMP1CCKBR
SCHEMBL8242675 0.88 MMP2 (0.58) MMP2MMP8MMP9MMP1CCKBR
SCHEMBL8363816 0.87 MMP8 (0.58) MMP2MMP8MMP9MMP1MMP3
SCHEMBL14177510 0.87 CCKBR (0.61) MMP2MMP8MMP9MMP1CCKBR
SCHEMBL8360545 0.86 MMP2 (0.55) MMP2MMP8MMP9MMP1MMP3
SCHEMBL8426483 0.86 MMP2 (0.62) MMP2MMP8MMP9MMP1MMP3
SCHEMBL8426512 0.85 MMP2 (0.63) MMP2MMP8MMP9MMP1MMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932853-A1 Novel depsipeptides and process for preparing same Cubist Pharmaceutical Inc. (US) 2008-06-18 EP disclosed
WO-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 WO disclosed