SCHEMBL7301488

SCHEMBL7301488

CCOC(=O)CCCN1CCn2nc(C(=O)NC[C@H](NC(=O)OCc3ccccc3)C(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
SYK P43405 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
LMNA P02545 3/20 0.38
SIRT2 Q8IXJ6 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL7306244 0.96 ITGB3 (0.42) ITGB3ITGA2BSYKBCHEACHE
SCHEMBL6480916 0.92 ITGB3 (0.47) ITGB3ITGA2BBCHEACHESMN1; SMN2
SCHEMBL7304338 0.88 ITGB3 (0.40) ITGB3ITGA2BSYKSMN1; SMN2PKM
SCHEMBL6474409 0.88 ITGB3 (0.46) ITGB3ITGA2BBCHEACHESMN1; SMN2
SCHEMBL7301850 0.85 ITGB3 (0.39) ITGB3ITGA2BSYKSMN1; SMN2PKM
SCHEMBL7422874 0.81 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL6481898 0.80 PKM (0.48) ITGB3ITGA2BSMN1; SMN2LMNATP53
SCHEMBL7306172 0.79 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL6474646 0.75 SYK (0.40) ITGB3ITGA2BSYKBCHEACHE
SCHEMBL6475204 0.75 PKM (0.49) ITGB3ITGA2BSMN1; SMN2LMNAPKM

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-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP disclosed