SCHEMBL8360545

SCHEMBL8360545

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.55
MMP8 P22894 9/20 0.55
MMP9 P14780 7/20 0.55
CCKBR P32239 3/20 0.51
MMP1 P03956 8/20 0.51
MMP14 P50281 3/20 0.49
MMP13 P45452 1/20 0.49
MMP3 P08254 2/20 0.49
CCKAR P32238 1/20 0.47

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
SCHEMBL8236310 0.94 MMP2 (0.51) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL8363817 0.94 MMP2 (0.62) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL14177783 0.91 CCKBR (0.61) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL8363816 0.88 MMP8 (0.58) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL14177510 0.88 CCKBR (0.61) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL8242675 0.87 MMP2 (0.58) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL8245264 0.87 MMP2 (0.58) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL8360549 0.86 MMP2 (0.56) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL8426512 0.86 MMP2 (0.63) MMP2MMP8MMP9CCKBRMMP1
SCHEMBL8426510 0.86 MMP2 (0.62) MMP2MMP8MMP9CCKBRMMP1

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