SCHEMBL6474041

SCHEMBL6474041

CC(C)C[C@H](NC(=O)COc1ccccc1I)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
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 6/20 0.42
PSMB9 P28065 3/20 0.42
PSMB10 P40306 3/20 0.42
PSMB2 P49721 3/20 0.42
PSMB11 A5LHX3 2/20 0.42
PSMA7 O14818 2/20 0.42
CYP3A4 P08684 2/20 0.42
PSMB1 P20618 2/20 0.42
CYP3A5 P20815 2/20 0.42
CYP3A7 P24462 2/20 0.42
PSMA1 P25786 2/20 0.42
PSMA2 P25787 2/20 0.42

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
SCHEMBL7538622 0.92 ITGB1 (0.47) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL6479940 0.92 ITGB1 (0.47) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL6474049 0.92 EPHX1 (0.46) CTSSCACNA1BPSMB8ITGB1ITGA4
SCHEMBL6479143 0.90 ITGB1 (0.45) CACNA1BPSMB8ITGB1ITGA4ITGB7
SCHEMBL6478996 0.90 CACNA1B (0.47) CTSSCACNA1BPSMB8ITGB1ITGA4
SCHEMBL6480784 0.89 CACNA1B (0.47) CTSSCACNA1BPSMB8ITGB1ITGA4
SCHEMBL6480786 0.89 MAPK1 (0.44) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL6481964 0.89 ITGB1 (0.45) CTSSCACNA1BPSMB8ITGB1ITGA4
SCHEMBL6478370 0.89 KMT2A (0.47) PSMB8ITGB1ITGA4ITGB7PSMB5
SCHEMBL6473896 0.88 PSMB11 (0.44) 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