SCHEMBL7353534

SCHEMBL7353534

N=C(N)NCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.45
ITGB1 P05556 8/20 0.45
ITGAV P06756 8/20 0.45
ITGA5 P08648 8/20 0.45
MDM4 O15151 4/20 0.45
MDM2 Q00987 7/20 0.45
CASP3 P42574 1/20 0.40
ITGA2B P08514 6/20 0.40
GPR139 Q6DWJ6 1/20 0.39
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
C3AR1 Q16581 1/20 0.37
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 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
SCHEMBL7345450 0.89 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7346263 0.88 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7345936 0.86 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7352151 0.85 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7355053 0.84 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7349358 0.84 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7345324 0.83 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7345928 0.82 PTGER4 (0.51) F10PRSS1
SCHEMBL7344786 0.79 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL9295158 0.76 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM4

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 4 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
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed