SCHEMBL24521897

SCHEMBL24521897

COC(=N)/C=C\C(=N)C(CC(=O)O)N/C(=C\C=N)CCCc1ccc2c(n1)NCCC2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.51
ITGB3 P05106 18/20 0.51
ITGB6 P18564 15/20 0.51
ITGB5 P18084 14/20 0.51
ITGB8 P26012 13/20 0.51

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
SCHEMBL20153336 0.79 ITGB3 (0.64) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521902 0.78 ITGB3 (0.61) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521899 0.78 ITGB3 (0.67) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521881 0.77 ITGB3 (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL23542430 0.71 ITGAV (0.61) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6262063 0.71 ITGB3 (0.74) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL10051072 0.70 ITGAV (0.68) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521988 0.70 ITGB3 (0.63) ITGAVITGB3ITGB6ITGB5ITGB8
Hydrochloric Acid SCHEMBL6424214 0.70 ITGB3 (0.72) ITGAVITGB3ITGB6ITGB5ITGB8
Hydrochloric Acid SCHEMBL29416400 0.70 ITGB3 (0.72) ITGAVITGB3ITGB6ITGB5ITGB8

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-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed