SCHEMBL29797232

SCHEMBL29797232

O=C(O)C[C@@H](c1ccc(O)nc1)n1ccc(CCCc2ccc3c(n2)NCCC3)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.56
ITGB3 P05106 16/20 0.56
ITGB1 P05556 2/20 0.56
ITGA5 P08648 2/20 0.56
ITGB6 P18564 5/20 0.55
ITGB8 P26012 5/20 0.55
ITGA2B P08514 1/20 0.55
ITGB5 P18084 3/20 0.54

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
SCHEMBL20142512 1.00 ITGAV (0.56) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20142509 1.00 ITGAV (0.56) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20140372 0.91 ITGAV (0.56) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20140379 0.91 ITGAV (0.56) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20140326 0.89 ITGAV (0.67) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20140330 0.89 ITGAV (0.67) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21294618 0.89 ITGAV (0.67) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL23559116 0.89 ITGAV (0.49) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL29860393 0.89 ITGAV (0.49) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20153357 0.89 ITGAV (0.49) ITGAVITGB3ITGB1ITGA5ITGB6

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
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN claimed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed