SCHEMBL7992884

SCHEMBL7992884

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PDF Q9HBH1 1/20 0.31
CASP1 P29466 1/20 0.30

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
SCHEMBL7976171 0.88 PDF (0.33) ITGB3ITGA2BPDF
SCHEMBL7987210 0.84 PDF (0.33) EPHX2ITGB3ITGA2BPDF
SCHEMBL7986825 0.83 EPHX2 (0.35) EPHX2
SCHEMBL7989063 0.83 EPHX2 (0.35) EPHX2
SCHEMBL7989852 0.82 FOLH1 (0.31) ITGB3ITGA2B
SCHEMBL7987318 0.78 PDF (0.33) ITGB3ITGA2BPDF
SCHEMBL7992880 0.76 PDF (0.40) PDF
SCHEMBL7993721 0.75 ALDH1A1 (0.40)
SCHEMBL7989540 0.74 PDF (0.34) EPHX2ITGB3ITGA2BPDF
SCHEMBL7986950 0.71 EPHX2 (0.39) EPHX2PDF

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