SCHEMBL7990047

SCHEMBL7990047

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 5/20 0.50
MMP2 P08253 14/20 0.40
MMP3 P08254 9/20 0.40
MMP1 P03956 7/20 0.40
MMP7 P09237 1/20 0.40
BIRC2 Q13490 1/20 0.33

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
SCHEMBL7987314 0.87 MME (0.41) PDFMMP2MMP3MMP1BIRC2
SCHEMBL7989538 0.84 PDF (0.43) PDFMMP2MMP3MMP1MMP7
SCHEMBL7986858 0.83 MMP2 (0.46) MMP2MMP3MMP1
SCHEMBL7987070 0.83 PLA2G2C (0.34) PDF
SCHEMBL7976169 0.82 PDF (0.44) PDFMMP2MMP3MMP1MMP7
SCHEMBL7990024 0.82 PDF (0.58) PDFMMP2MMP3MMP1MMP7
SCHEMBL7977102 0.82 PDF (0.44) PDFMMP2MMP3MMP1MMP7
SCHEMBL7994397 0.81 MMP2 (0.48) MMP2MMP3MMP1
SCHEMBL7987308 0.81 MMP2 (0.48) MMP2MMP3MMP1
SCHEMBL7995047 0.79 PDF (0.43) PDFMMP2MMP3MMP1MMP7

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