SCHEMBL6478996

SCHEMBL6478996

CC(C)C[C@H](NC(=O)COc1ccccc1C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
CYP3A4 P08684 2/20 0.44
CYP3A5 P20815 2/20 0.44
CYP3A7 P24462 2/20 0.44
CYP3A43 Q9HB55 2/20 0.44
CTSS P25774 1/20 0.44
PSMB8 P28062 3/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
YAP1 P46937 1/20 0.42
TMPRSS11D O60235 1/20 0.42
CTRL P40313 1/20 0.42
PSMB5 P28074 7/20 0.41
PSMB9 P28065 3/20 0.41
PSMB11 A5LHX3 2/20 0.41
PSMA7 O14818 2/20 0.41
PSMB1 P20618 2/20 0.41
PSMA1 P25786 2/20 0.41
PSMA2 P25787 2/20 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
SCHEMBL8298346 0.94 CACNA1B (0.46) CACNA1BCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL6474215 0.93 ITGB1 (0.46) CACNA1BPSMB8ITGB1ITGA4ITGB7
SCHEMBL6473763 0.91 ITGB1 (0.44) CACNA1BITGB1ITGA4ITGB7YAP1
SCHEMBL7478643 0.91 ITGB1 (0.44) CACNA1BITGB1ITGA4ITGB7YAP1
SCHEMBL6474049 0.90 EPHX1 (0.46) CACNA1BCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL6474041 0.90 CTSS (0.45) CACNA1BCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL6480951 0.89 MAPK1 (0.47) CACNA1BPSMB8ITGB1ITGA4ITGB7
SCHEMBL6474104 0.89 KMT2A (0.45) CACNA1BCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL6480791 0.88 YAP1 (0.46) PSMB8ITGB1ITGA4ITGB7YAP1
SCHEMBL6480784 0.88 CACNA1B (0.47) CACNA1BCYP3A4CYP3A5CYP3A7CYP3A43

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