SCHEMBL7304338

SCHEMBL7304338

CC(C)(C)OC(=O)[C@H](CNC(=O)c1cc2n(n1)CCN(CCCC(=O)NC(=N)N)C2=O)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.40
ITGA2B P08514 12/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
SYK P43405 1/20 0.37
ABCB1 P08183 1/20 0.36
ITGAV P06756 4/20 0.35
CAPN1 P07384 1/20 0.34
CAPN2 P17655 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7301850 0.96 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2SYKABCB1
SCHEMBL6476016 0.92 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2ITGAV
SCHEMBL7306172 0.91 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL7301488 0.88 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2SYKPKM
SCHEMBL6474456 0.88 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2ITGAV
SCHEMBL7306244 0.85 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2SYKPKM
SCHEMBL6483064 0.82 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL6480916 0.80 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2ITGAV
SCHEMBL7422874 0.78 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL6474409 0.77 ITGB3 (0.46) ITGB3ITGA2BSMN1; SMN2ITGAVPKM

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