SCHEMBL7989852

SCHEMBL7989852

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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 0.83 PDF (0.33) ITGB3ITGA2B
SCHEMBL7992884 0.82 EPHX2 (0.33) ITGB3ITGA2B
SCHEMBL7987210 0.80 PDF (0.33) ITGB3ITGA2B
SCHEMBL7989849 0.79 PDF (0.37) FOLH1
SCHEMBL7993721 0.77 ALDH1A1 (0.40)
SCHEMBL7987318 0.74 PDF (0.33) ITGB3ITGA2B
SCHEMBL7989540 0.70 PDF (0.34) ITGB3ITGA2B
SCHEMBL7990027 0.68 PDF (0.35)
SCHEMBL7986950 0.68 EPHX2 (0.39)
SCHEMBL7989538 0.66 PDF (0.43)

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