SCHEMBL20153349

SCHEMBL20153349

COc1ccc(C(CC(=O)O)N/C=C\C(=N)CCCc2ccc3c(n2)NCCC3)cn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.64
ITGB3 P05106 19/20 0.64
ITGB6 P18564 10/20 0.58
ITGB1 P05556 2/20 0.58
ITGA5 P08648 2/20 0.58
ITGB8 P26012 6/20 0.57
ITGA2B P08514 3/20 0.57
ITGB5 P18084 6/20 0.56

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
SCHEMBL20153385 1.00 ITGAV (0.64) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL20153378 0.98 ITGAV (0.65) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL24521903 0.98 ITGAV (0.61) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL20153461 0.92 ITGAV (0.59) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL24521878 0.92 ITGAV (0.57) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL24521913 0.91 ITGB3 (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20153340 0.90 ITGB3 (0.53) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL24521828 0.90 ITGAV (0.60) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL24521991 0.89 ITGB3 (0.60) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL20153504 0.89 ITGB3 (0.62) ITGAVITGB3ITGB6ITGB8ITGA2B

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