SCHEMBL8360546

SCHEMBL8360546

CCCCCCCCCC(=O)NC(Cc1csc2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.53
MMP9 P14780 3/20 0.53
MMP8 P22894 3/20 0.53
PTPN1 P18031 2/20 0.50
MMP3 P08254 10/20 0.45
MMP1 P03956 9/20 0.45
MMP7 P09237 5/20 0.43

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
SCHEMBL8242111 0.93 PTPN1 (0.50) MMP2MMP9MMP8PTPN1MMP1
SCHEMBL8363817 0.83 MMP2 (0.62) MMP2MMP9MMP8MMP3MMP1
SCHEMBL6846292 0.81 FAAH (0.54) MMP2MMP9MMP8
SCHEMBL8236030 0.81 FAAH (0.54) MMP2MMP9MMP8
SCHEMBL14177783 0.81 CCKBR (0.61) MMP2MMP9MMP8PTPN1MMP1
SCHEMBL8363816 0.79 MMP8 (0.58) MMP2MMP9MMP8MMP3MMP1
SCHEMBL8360545 0.78 MMP2 (0.55) MMP2MMP9MMP8MMP3MMP1
SCHEMBL14177510 0.77 CCKBR (0.61) MMP2MMP9MMP8PTPN1MMP1
SCHEMBL8241705 0.77 MEN1 (0.51)
SCHEMBL8360549 0.77 MMP2 (0.56) MMP2MMP9MMP8MMP3MMP1

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