SCHEMBL6474249

SCHEMBL6474249

CC(C)C[C@H](NC(=O)c1cccc2c1oc1ccccc12)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.52
ITGA4 P13612 12/20 0.52
ITGB7 P26010 11/20 0.52
CACNA1B Q00975 2/20 0.40
ICMT O60725 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ECE1 P42892 1/20 0.38
PSMB8 P28062 3/20 0.38
PSMB9 P28065 3/20 0.38
PSMB5 P28074 3/20 0.38
PSMB10 P40306 3/20 0.38
PSMB2 P49721 3/20 0.38
PSMB11 A5LHX3 2/20 0.38
PSMA7 O14818 2/20 0.38
PSMB1 P20618 2/20 0.38
PSMA1 P25786 2/20 0.38
PSMA2 P25787 2/20 0.38
PSMA3 P25788 2/20 0.38
PSMA4 P25789 2/20 0.38
PSMA5 P28066 2/20 0.38

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
SCHEMBL6479056 0.94 ITGB1 (0.54) ITGB1ITGA4ITGB7CACNA1BICMT
SCHEMBL6479549 0.92 ITGB1 (0.49) ITGB1ITGA4ITGB7ICMTL3MBTL1
SCHEMBL6474096 0.91 ITGB1 (0.51) ITGB1ITGA4ITGB7CACNA1BICMT
SCHEMBL6480757 0.89 ITGB1 (0.51) ITGB1ITGA4ITGB7ICMTL3MBTL1
SCHEMBL6473111 0.87 ITGB1 (0.47) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6474075 0.87 ITGB1 (0.49) ITGB1ITGA4ITGB7CACNA1BL3MBTL1
SCHEMBL6473058 0.85 ITGB1 (0.48) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6479196 0.82 ACE (0.51) ICMTECE1
SCHEMBL6479206 0.81 ITGB1 (0.41) ITGB1ITGA4ITGB7ICMTL3MBTL1
SCHEMBL6479211 0.81 ITGB1 (0.41) ITGB1ITGA4ITGB7ICMTL3MBTL1

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