SCHEMBL4973105

SCHEMBL4973105

O=C(N[C@@H](CC1=CCC(C2=CCN(C(=O)c3onc4ccccc34)CC2)C=N1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.39
ITGA4 P13612 14/20 0.39
ITGA5 P08648 2/20 0.37
RBP4 P02753 1/20 0.35
ITGB7 P26010 3/20 0.35
ITGB2 P05107 2/20 0.34
ICAM1 P05362 2/20 0.34
ITGAL P20701 2/20 0.34
ITGA2 P17301 1/20 0.34
ITGAV P06756 1/20 0.34

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
SCHEMBL4973096 0.84 RBP4 (0.36) ITGB1ITGA4ITGA5RBP4ITGB7
SCHEMBL3837009 0.81 ITGA4 (0.47) ITGB1ITGA4ITGA5ITGB7
SCHEMBL4210168 0.79 ITGB1 (0.40) ITGB1ITGA4ITGA5ITGB7ITGAV
SCHEMBL4105639 0.74 ITGB1 (0.52) ITGB1ITGA4ITGA5ITGB7ITGAV
SCHEMBL4218349 0.73 ITGB1 (0.41) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL4094569 0.72 ITGB1 (0.54) ITGB1ITGA4ITGA5ITGB7ITGAV
SCHEMBL3835954 0.67 ITGA4 (0.47) ITGB1ITGA4ITGA5ITGB7ITGAV
SCHEMBL3832567 0.66 ITGA4 (0.48) ITGB1ITGA4ITGB7ITGAV
SCHEMBL3835482 0.66 ITGA4 (0.46) ITGB1ITGA4ITGA5ITGB7
SCHEMBL3833939 0.65 ITGA4 (0.47) ITGB1ITGA4ITGA5ITGB7ITGA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957476-A1 L-ALANINE DERIVATIVES AstraZeneca AB (SE) 2008-08-20 EP claimed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 WO claimed