SCHEMBL7986859

SCHEMBL7986859

C=CCCC[C@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N(C)CCCC=C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.45
HRH4 Q9H3N8 1/20 0.44
MMP2 P08253 10/20 0.42
MMP8 P22894 2/20 0.42
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MMP1 P03956 4/20 0.39
MMP3 P08254 4/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MMP14 P50281 1/20 0.38
TGM2 P21980 1/20 0.37

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
SCHEMBL7989529 0.86 MMP9 (0.52) MMP9HRH4MMP2MMP8MME
SCHEMBL7989539 0.86 MMP9 (0.52) MMP9HRH4MMP2MMP8MME
SCHEMBL7993694 0.85 MMP2 (0.54) MMP9MMP2MMP8MMEACE
SCHEMBL7986858 0.83 MMP2 (0.46) MMP2MMP1MMP3
SCHEMBL7986625 0.82 MMP1 (0.38) MMP2MMP1MMP3
SCHEMBL7986628 0.79 MMP2 (0.42) MMP2MMP8MMP1MMP3
SCHEMBL7990047 0.77 PDF (0.50) MMP2MMP1MMP3
SCHEMBL7987314 0.77 MME (0.41) MMP9MMP2MMEMMP1MMP3
SCHEMBL7977831 0.76 MMP2 (0.44) MMP9MMP2MMP8MMEACE
SCHEMBL7977828 0.76 MMP2 (0.44) MMP9MMP2MMP8MMEACE

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