SCHEMBL7345936

SCHEMBL7345936

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.46
ITGA2B P08514 4/20 0.46
TFPI P10646 1/20 0.43
ITGB1 P05556 7/20 0.43
ITGAV P06756 7/20 0.43
ITGA5 P08648 7/20 0.43
MDM4 O15151 4/20 0.43
MDM2 Q00987 6/20 0.42
IL23R Q5VWK5 3/20 0.41
ROCK2 O75116 1/20 0.40
OPRL1 P41146 1/20 0.39

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 0.94 ITGB3 (0.48) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345928 0.86 PTGER4 (0.51)
SCHEMBL7353534 0.86 ITGB3 (0.45) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL29536100 0.84 GNPAT (0.52) TFPIIL23ROPRL1
SCHEMBL7352151 0.84 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL17732656 0.83 GNPAT (0.47) ITGB3ITGA2BTFPIIL23R
SCHEMBL5606014 0.82 SIRT5 (0.48) TFPIIL23ROPRL1
SCHEMBL29536066 0.82 GNPAT (0.50) ITGB3ITGA2BTFPIIL23ROPRL1
SCHEMBL7345324 0.82 ITGB3 (0.44) ITGB3ITGA2BTFPIITGB1ITGAV
SCHEMBL12711226 0.80 GNPAT (0.45) TFPIIL23ROPRL1

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