SCHEMBL7348108

SCHEMBL7348108

CN(CC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)c1ccccc1)C(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGA2B P08514 5/20 0.43
F2 P00734 3/20 0.41
TDP1 Q9NUW8 2/20 0.39
F7 P08709 2/20 0.38
F10 P00742 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
DNMT1 P26358 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 1/20 0.36
MDM4 O15151 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 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
SCHEMBL9294970 0.86 ITGB3 (0.46) ITGB3ITGA2BF2TDP1
SCHEMBL7326730 0.83 ITGB3 (0.41) ITGB3ITGA2BF2TDP1F7
Trifluoroacetic Acid SCHEMBL7323357 0.79 ITGB1 (0.40) ITGB3ITGA2BF7ITGB1
SCHEMBL7345426 0.75 ITGB3 (0.41) ITGB3ITGA2BF10
SCHEMBL9296637 0.73 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL9294657 0.72 ITGB3 (0.43) ITGB3ALDH1A1SMN1; SMN2MDM4ITGB1
SCHEMBL9295158 0.71 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC6MDM4
SCHEMBL7317973 0.70 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7322874 0.69 ITGB3 (0.47) ITGB3ITGA2BF2F7F10
SCHEMBL6779388 0.69 ITGB3 (0.55) ITGB3ITGA2BITGAV

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP claimed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP claimed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO claimed
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP disclosed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP disclosed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed