SCHEMBL7336239

SCHEMBL7336239

N=C(N)c1ccc(C(=O)NCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.59
ITGA2B P08514 10/20 0.59
FOLH1 Q04609 6/20 0.54
PRSS1 P07477 2/20 0.51
TMPRSS15 P98073 2/20 0.51
MAPK1 P28482 1/20 0.50
F10 P00742 1/20 0.48

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
SCHEMBL7303040 0.87 ITGB3 (0.55) ITGB3ITGA2BFOLH1F10
SCHEMBL7328520 0.85 ITGB3 (0.59) ITGB3ITGA2BFOLH1MAPK1F10
SCHEMBL7305759 0.83 ITGB3 (0.54) ITGB3ITGA2BFOLH1MAPK1F10
SCHEMBL7332549 0.82 FOLH1 (0.49) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
SCHEMBL7304969 0.80 ITGB3 (0.72) ITGB3ITGA2BMAPK1
SCHEMBL7332658 0.80 ITGB3 (0.52) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
SCHEMBL9215193 0.80 ITGB3 (0.56) ITGB3ITGA2BFOLH1F10
SCHEMBL9742835 0.79 ITGB3 (0.51) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
SCHEMBL7299599 0.79 ITGB3 (0.51) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
Trifluoroacetic Acid SCHEMBL9217427 0.79 ITGB3 (0.49) ITGB3ITGA2BFOLH1

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
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP claimed