SCHEMBL20153336

SCHEMBL20153336

COc1cncc(C(CC(=O)O)N/C(=C\C=N)CCCc2ccc3c(n2)NCCC3)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.64
ITGAV P06756 20/20 0.64
ITGB5 P18084 12/20 0.64
ITGB6 P18564 11/20 0.64
ITGB8 P26012 11/20 0.64

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
SCHEMBL24521881 0.86 ITGB3 (0.56) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24521902 0.85 ITGB3 (0.61) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24521899 0.85 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20153338 0.85 ITGB3 (0.59) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20153397 0.83 ITGB3 (0.56) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7447166 0.80 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7434301 0.80 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7434288 0.80 ITGAV (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24521897 0.79 ITGAV (0.51) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20139872 0.78 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8

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-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed