SCHEMBL7989540

SCHEMBL7989540

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 2/20 0.34
EPHX2 P34913 4/20 0.34
MMEL1 Q495T6 1/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
MMP2 P08253 5/20 0.30
MMP3 P08254 5/20 0.30
MMP1 P03956 3/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
MMP7 P09237 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
SCHEMBL7986950 0.92 EPHX2 (0.39) PDFEPHX2ABCC4MAPT
SCHEMBL7987318 0.87 PDF (0.33) PDFITGB3ITGA2B
SCHEMBL7976171 0.84 PDF (0.33) PDFITGB3ITGA2B
SCHEMBL7990027 0.83 PDF (0.35) PDFMMP2MMP3MMP1MMP7
SCHEMBL7987210 0.81 PDF (0.33) PDFEPHX2ABCC4MAPTITGB3
SCHEMBL7986215 0.79 EPHX2 (0.38) EPHX2ABCC4MAPTTSHR
SCHEMBL7986860 0.78 MMP2 (0.38) MMP2MMP3ITGB3
SCHEMBL7989538 0.77 PDF (0.43) PDFMMP2MMP3MMP1MMP7
SCHEMBL7976169 0.75 PDF (0.44) PDFMMP2MMP3MMP1MMP7
SCHEMBL7977102 0.75 PDF (0.44) 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