SCHEMBL6472845

SCHEMBL6472845

Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ITGB1 P05556 4/20 0.45
ITGA4 P13612 4/20 0.45
PSMB11 A5LHX3 2/20 0.45
PSMA7 O14818 2/20 0.45
PSMB1 P20618 2/20 0.45
PSMA1 P25786 2/20 0.45
PSMA2 P25787 2/20 0.45
PSMA3 P25788 2/20 0.45
PSMA4 P25789 2/20 0.45
PSMB8 P28062 2/20 0.45
PSMB9 P28065 2/20 0.45
PSMA5 P28066 2/20 0.45
PSMB4 P28070 2/20 0.45
PSMB6 P28072 2/20 0.45
PSMB5 P28074 2/20 0.45
PSMB10 P40306 2/20 0.45
PSMB3 P49720 2/20 0.45
PSMB2 P49721 2/20 0.45

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
SCHEMBL6473896 0.92 PSMB11 (0.44) MEN1KMT2AITGB1ITGA4PSMB11
SCHEMBL6480791 0.91 YAP1 (0.46) MEN1KMT2AITGB1ITGA4PSMB11
SCHEMBL24868206 0.91 ITGB1 (0.50) ITGB1ITGA4PSMB11PSMA7PSMB1
SCHEMBL6473601 0.90 PSMB11 (0.44) MEN1KMT2AITGB1ITGA4PSMB11
SCHEMBL29371746 0.90 MAPK1 (0.45) ITGB1ITGA4PSMB11PSMA7PSMB1
SCHEMBL598356 0.90 MAPK1 (0.45) ITGB1ITGA4PSMB11PSMA7PSMB1
SCHEMBL6840497 0.90 MAPK1 (0.45) ITGB1ITGA4PSMB11PSMA7PSMB1
SCHEMBL20815350 0.90 MAPK1 (0.45) ITGB1ITGA4PSMB11PSMA7PSMB1
SCHEMBL23230085 0.90 MAPK1 (0.45) ITGB1ITGA4PSMB11PSMA7PSMB1
SCHEMBL6472835 0.90 CASP1 (0.51) MEN1KMT2AITGB1ITGA4PSMB11

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
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US claimed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed