SCHEMBL7346263

SCHEMBL7346263

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGB1 P05556 7/20 0.46
ITGAV P06756 7/20 0.46
ITGA5 P08648 7/20 0.46
MDM4 O15151 4/20 0.46
MDM2 Q00987 6/20 0.46
GPR139 Q6DWJ6 4/20 0.42
ITGA2B P08514 1/20 0.40
SLC6A9 P48067 2/20 0.39
SLC6A5 Q9Y345 2/20 0.39
CASP3 P42574 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7353534 0.88 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7355857 0.83 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7349358 0.82 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7355053 0.82 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL9294657 0.77 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7345450 0.75 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7345936 0.73 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7352151 0.73 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7345324 0.71 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL27476362 0.70 GPR139 (0.58) 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 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