SCHEMBL24521936

SCHEMBL24521936

COCCOc1cncc(C(CC(=O)O)N/C=C\C(=N)CCCc2ccc3c(n2)NCCC3)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGAV P06756 20/20 0.52
ITGB6 P18564 12/20 0.52
ITGB5 P18084 9/20 0.52
ITGB8 P26012 9/20 0.52

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
SCHEMBL20153338 0.93 ITGB3 (0.59) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20153397 0.90 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL24521913 0.85 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20153504 0.84 ITGB3 (0.62) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20153385 0.83 ITGAV (0.64) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20153349 0.83 ITGAV (0.64) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL24521991 0.83 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20153340 0.82 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL24521903 0.81 ITGAV (0.61) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20153378 0.81 ITGAV (0.65) ITGB3ITGAVITGB6ITGB5ITGB8

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