SCHEMBL7345666

SCHEMBL7345666

N=C(N)CCC[C@@](N)(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)c1ccccc1)C1NCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.36
ITGB1 P05556 8/20 0.36
ITGAV P06756 8/20 0.36
ITGA5 P08648 8/20 0.36
MDM2 Q00987 7/20 0.36
MDM4 O15151 4/20 0.35
ITGA2B P08514 4/20 0.33
PTPN1 P18031 3/20 0.30
TAOK1 Q7L7X3 1/20 0.30
TAOK3 Q9H2K8 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPRA P18433 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL7344786 0.77 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7352151 0.69 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345450 0.67 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7355857 0.67 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7353534 0.66 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL9295158 0.66 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345936 0.65 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL9294657 0.64 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7346263 0.62 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345928 0.62 PTGER4 (0.51)

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 1 patent. 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 disclosed