SCHEMBL7987530

SCHEMBL7987530

C=CCCCCN(C)C(=O)[C@H](CNC(=O)[C@H](CCCC=C)CC(=O)O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP2 P08253 17/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MMP1 P03956 4/20 0.34

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
SCHEMBL7985989 0.83 FFAR1 (0.39)
SCHEMBL7989516 0.80 MMP3 (0.42) MMP3MMP9MMP8MMP2MMP1
SCHEMBL7987529 0.80 MMP3 (0.42) MMP3MMP9MMP8MMP2MMP1
SCHEMBL7975565 0.77 FOLH1 (0.47)
SCHEMBL7975562 0.77 FOLH1 (0.47)
SCHEMBL7977831 0.77 MMP2 (0.44) MMP3MMP9MMP8MMP2MMP1
SCHEMBL7977828 0.77 MMP2 (0.44) MMP3MMP9MMP8MMP2MMP1
SCHEMBL7986860 0.75 MMP2 (0.38) MMP3MMP2ITGB3
SCHEMBL7986858 0.75 MMP2 (0.46) MMP3MMP2MMP1
SCHEMBL7993697 0.75 KMT2A (0.40) MMP9MMP8MMP2MMP1

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