SCHEMBL7345450

SCHEMBL7345450

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.48
ITGA2B P08514 2/20 0.48
ITGB1 P05556 8/20 0.44
ITGAV P06756 8/20 0.44
ITGA5 P08648 8/20 0.44
MDM4 O15151 4/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
MDM2 Q00987 7/20 0.43
PTGER4 P35408 1/20 0.41
TPSAB1 Q15661 1/20 0.41

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
SCHEMBL7345936 0.94 ITGB3 (0.46) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345928 0.89 PTGER4 (0.51) PTGER4TPSAB1
SCHEMBL7353534 0.89 ITGB3 (0.45) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7352151 0.86 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345324 0.81 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7344786 0.81 ITGB3 (0.37) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL29608869 0.81 CTSL (0.52)
SCHEMBL8882210 0.80 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL1694411 0.79 C3AR1 (0.50)
SCHEMBL2750013 0.79 C3AR1 (0.50)

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
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