SCHEMBL6474075

SCHEMBL6474075

CC(C)C[C@H](NC(=O)c1cccc2c1oc1ccccc12)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.49
ITGA4 P13612 8/20 0.49
ITGB7 P26010 8/20 0.49
PSMB8 P28062 8/20 0.43
PSMB9 P28065 8/20 0.43
PSMB5 P28074 8/20 0.43
PSMB10 P40306 8/20 0.43
PSMB2 P49721 8/20 0.43
PSMB11 A5LHX3 7/20 0.43
PSMA7 O14818 7/20 0.43
PSMB1 P20618 7/20 0.43
PSMA1 P25786 7/20 0.43
PSMA2 P25787 7/20 0.43
PSMA3 P25788 7/20 0.43
PSMA4 P25789 7/20 0.43
PSMA5 P28066 7/20 0.43
PSMB4 P28070 7/20 0.43
PSMB6 P28072 7/20 0.43
PSMB3 P49720 7/20 0.43
PSMA6 P60900 7/20 0.43

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
SCHEMBL6480757 0.93 ITGB1 (0.51) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6479056 0.89 ITGB1 (0.54) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6474096 0.88 ITGB1 (0.51) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6473111 0.88 ITGB1 (0.47) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6474249 0.87 ITGB1 (0.52) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6473058 0.86 ITGB1 (0.48) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6479549 0.85 ITGB1 (0.49) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6479196 0.79 ACE (0.51)
SCHEMBL6478427 0.78 PSMB8 (0.44) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6479206 0.78 ITGB1 (0.41) ITGB1ITGA4ITGB7PSMB5PSMB2

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