SCHEMBL7989849

SCHEMBL7989849

C=CCCC[C@H](CC(=O)O)C(=O)N[C@H](C(=O)N(CCCC=C)CCCSC)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 2/20 0.37
MMP1 P03956 4/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
MMP2 P08253 13/20 0.33
MMP3 P08254 10/20 0.33
MMP7 P09237 1/20 0.33
BIRC2 Q13490 1/20 0.32
FOLH1 Q04609 1/20 0.32

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
SCHEMBL7977102 0.83 PDF (0.44) PDFMMP1MMP9MMP14MMP2
SCHEMBL7976169 0.83 PDF (0.44) PDFMMP1MMP9MMP14MMP2
SCHEMBL7992880 0.82 PDF (0.40) PDFMMP1MMP9MMP14MMP2
SCHEMBL7991046 0.80 MMP1 (0.39) PDFMMP1MMP9MMP2MMP3
SCHEMBL7991042 0.80 MMP1 (0.39) PDFMMP1MMP9MMP2MMP3
SCHEMBL7987208 0.80 PDF (0.43) PDFMMP1MMP9MMP14MMP2
SCHEMBL7995047 0.80 PDF (0.43) PDFMMP1MMP9MMP14MMP2
SCHEMBL7989852 0.79 FOLH1 (0.31) FOLH1
SCHEMBL7993715 0.77 MMP2 (0.41) MMP1MMP9MMP14MMP2MMP3
SCHEMBL7989538 0.74 PDF (0.43) PDFMMP1MMP2MMP3MMP7

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-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed