SCHEMBL4739844

SCHEMBL4739844

CNc1cccc(CCOc2ccc(C[C@H](N)C(=O)O)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.70
ITGAV P06756 20/20 0.70
ITGB1 P05556 18/20 0.70
ITGA5 P08648 18/20 0.70
ITGB6 P18564 1/20 0.57
ITGB5 P18084 1/20 0.53

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
SCHEMBL4067570 0.90 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14104055 0.90 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL4069905 0.89 ITGB3 (0.68) ITGB3ITGAVITGB1ITGA5ITGB6
Hydrochloric Acid SCHEMBL4193237 0.89 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL13908271 0.86 ITGB3 (0.82) ITGB3ITGAVITGB1ITGA5
SCHEMBL6174944 0.85 ITGB3 (0.76) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6177494 0.84 ITGB3 (0.78) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL4742898 0.83 ITGB3 (0.78) ITGB3ITGAVITGB1ITGA5
SCHEMBL4743165 0.83 ITGB3 (0.78) ITGB3ITGAVITGB1ITGA5
SCHEMBL4065491 0.83 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5ITGB6

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-2008093064-A1 L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed