SCHEMBL7306172

SCHEMBL7306172

CC(C)(C)OC(=O)[C@H](CNC(=O)c1cc2n(n1)CCN(CCCC(=O)NC(=N)N)C2=O)NC(=O)OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGA2B P08514 11/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
MCHR1 Q99705 2/20 0.32

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
SCHEMBL6483064 0.91 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7304338 0.91 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL7301850 0.87 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2PKMMCHR1
SCHEMBL7301488 0.79 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL7306244 0.76 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2PKMMCHR1
SCHEMBL6480916 0.70 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7422874 0.69 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2ALDH1A1PKM
SCHEMBL6480964 0.68 ITGB3 (0.38) ITGB3ITGA2BPOLB
SCHEMBL6474409 0.67 ITGB3 (0.46) ITGB3ITGA2BSMN1; SMN2PKM
SCHEMBL7415330 0.65 ITGB3 (0.51) ITGB3ITGA2BPKMMCHR1

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