SCHEMBL6474049

SCHEMBL6474049

Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
CTSS P25774 2/20 0.46
CACNA1B Q00975 1/20 0.45
PSMB8 P28062 3/20 0.44
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
TMPRSS11D O60235 1/20 0.43
CTRL P40313 1/20 0.43
PSMB5 P28074 4/20 0.43
PSMB11 A5LHX3 2/20 0.43
PSMA7 O14818 2/20 0.43
CYP3A4 P08684 2/20 0.43
PSMB1 P20618 2/20 0.43
CYP3A5 P20815 2/20 0.43
CYP3A7 P24462 2/20 0.43
PSMA1 P25786 2/20 0.43
PSMA2 P25787 2/20 0.43
PSMA3 P25788 2/20 0.43
PSMA4 P25789 2/20 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
SCHEMBL6481515 0.92 ITGB1 (0.47) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL6474041 0.92 CTSS (0.45) EPHX1CTSSCACNA1BPSMB8ITGB1
SCHEMBL6478996 0.90 CACNA1B (0.47) CTSSCACNA1BPSMB8ITGB1ITGA4
SCHEMBL6481231 0.90 ITGB1 (0.46) CACNA1BITGB1ITGA4ITGB7PSMB5
SCHEMBL6480784 0.90 CACNA1B (0.47) CTSSCACNA1BPSMB8ITGB1ITGA4
SCHEMBL6481964 0.90 ITGB1 (0.45) CTSSCACNA1BPSMB8ITGB1ITGA4
SCHEMBL24868206 0.89 ITGB1 (0.50) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL6840497 0.89 MAPK1 (0.45) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL20815350 0.89 MAPK1 (0.45) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL29371746 0.89 MAPK1 (0.45) PSMB8ITGB1ITGA4ITGB7PSMB5

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