SCHEMBL7987210

SCHEMBL7987210

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
EPHX2 P34913 2/20 0.32
ABCC4 O15439 1/20 0.30
MAPT P10636 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 0.97 PDF (0.33) PDFITGB3ITGA2B
SCHEMBL7987318 0.87 PDF (0.33) PDFITGB3ITGA2B
SCHEMBL7992884 0.84 EPHX2 (0.33) PDFITGB3ITGA2BEPHX2
SCHEMBL7993657 0.83 CYP2D6 (0.35) EPHX2ABCC4MAPT
SCHEMBL7975818 0.83 CYP2D6 (0.35) EPHX2ABCC4MAPT
SCHEMBL7986722 0.83 ALDH1A1 (0.34)
SCHEMBL7989540 0.81 PDF (0.34) PDFITGB3ITGA2BEPHX2ABCC4
SCHEMBL7989852 0.80 FOLH1 (0.31) ITGB3ITGA2B
SCHEMBL7986187 0.80 CYP2D6 (0.36) EPHX2ABCC4MAPT
SCHEMBL7975800 0.80 CYP2D6 (0.36) EPHX2ABCC4MAPT

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