SCHEMBL7349358

SCHEMBL7349358

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGB1 P05556 3/20 0.41
ITGAV P06756 3/20 0.41
ITGA5 P08648 3/20 0.41
MDM2 Q00987 2/20 0.41
MDM4 O15151 2/20 0.41
SUCNR1 Q9BXA5 8/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 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
SCHEMBL7355053 1.00 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345142 0.86 CYP3A4 (0.43) ITGB3ITGAVSUCNR1MAPT
SCHEMBL7353534 0.84 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7346263 0.82 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7344378 0.73 MEN1 (0.62) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7345450 0.73 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345936 0.73 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7146701 0.71 MEN1 (0.56) SUCNR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL7146704 0.71 MEN1 (0.56) SUCNR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL7345928 0.71 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 3 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 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