SCHEMBL6480757

SCHEMBL6480757

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.51
ITGA4 P13612 3/20 0.51
ITGB7 P26010 3/20 0.51
MAPK1 P28482 1/20 0.42
PSMB11 A5LHX3 10/20 0.41
PSMA7 O14818 10/20 0.41
PSMB1 P20618 10/20 0.41
PSMA1 P25786 10/20 0.41
PSMA2 P25787 10/20 0.41
PSMA3 P25788 10/20 0.41
PSMA4 P25789 10/20 0.41
PSMB8 P28062 10/20 0.41
PSMB9 P28065 10/20 0.41
PSMA5 P28066 10/20 0.41
PSMB4 P28070 10/20 0.41
PSMB6 P28072 10/20 0.41
PSMB5 P28074 10/20 0.41
PSMB10 P40306 10/20 0.41
PSMB3 P49720 10/20 0.41
PSMB2 P49721 10/20 0.41

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
SCHEMBL6474075 0.93 ITGB1 (0.49) ITGB1ITGA4ITGB7MAPK1PSMB11
SCHEMBL6479056 0.91 ITGB1 (0.54) ITGB1ITGA4ITGB7PSMB11PSMA7
SCHEMBL6474096 0.90 ITGB1 (0.51) ITGB1ITGA4ITGB7PSMB11PSMA7
SCHEMBL6473111 0.90 ITGB1 (0.47) ITGB1ITGA4ITGB7MAPK1PSMB11
SCHEMBL6474249 0.89 ITGB1 (0.52) ITGB1ITGA4ITGB7PSMB11PSMA7
SCHEMBL6473058 0.88 ITGB1 (0.48) ITGB1ITGA4ITGB7PSMB11PSMA7
SCHEMBL6479549 0.86 ITGB1 (0.49) ITGB1ITGA4ITGB7MAPK1PSMB11
SCHEMBL6479196 0.81 ACE (0.51) ICMTECE1
SCHEMBL6479206 0.80 ITGB1 (0.41) ITGB1ITGA4ITGB7PSMB1PSMB5
SCHEMBL6479211 0.80 ITGB1 (0.41) ITGB1ITGA4ITGB7PSMB1PSMB5

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 8 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
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP claimed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO 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
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed