SCHEMBL7986950

SCHEMBL7986950

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.39
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
PDF Q9HBH1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KDM4C Q9H3R0 3/20 0.32
KDM4A O75164 2/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
BCHE P06276 1/20 0.32
CHRM2 P08172 1/20 0.32
ACHE P22303 1/20 0.32
SIRT5 Q9NXA8 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL7989540 0.92 PDF (0.34) EPHX2ABCC4MAPTPDF
SCHEMBL7987318 0.84 PDF (0.33) PDF
SCHEMBL7976171 0.81 PDF (0.33) PDF
SCHEMBL7987073 0.81 EPHX2 (0.45) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL7990027 0.80 PDF (0.35) PDF
SCHEMBL7987210 0.78 PDF (0.33) EPHX2ABCC4MAPTPDF
SCHEMBL7986860 0.75 MMP2 (0.38) KDM4A
SCHEMBL7989538 0.74 PDF (0.43) PDF
SCHEMBL7976169 0.73 PDF (0.44) PDF
SCHEMBL7977102 0.73 PDF (0.44) PDF

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