SCHEMBL24521902

SCHEMBL24521902

COc1ncc(C(CC(=O)O)N/C(=C\C=N)CCCc2ccc3c(n2)NCCCC3)cn1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 20/20 0.61
ITGB5 P18084 11/20 0.57
ITGB6 P18564 10/20 0.57
ITGB8 P26012 10/20 0.57

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
SCHEMBL20153336 0.85 ITGB3 (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24521991 0.84 ITGB3 (0.60) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24521933 0.84 ITGAV (0.50) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24521899 0.83 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24521913 0.82 ITGB3 (0.63) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL5255688 0.79 ITGAV (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL5254158 0.79 ITGAV (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL5256976 0.79 ITGAV (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21271492 0.79 ITGB3 (0.62) 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 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