SCHEMBL6480786

SCHEMBL6480786

CC(C)C[C@H](NC(=O)COc1ccccc1I)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
UBE2N P61088 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
YAP1 P46937 3/20 0.43
REN P00797 2/20 0.41
PSMB11 A5LHX3 3/20 0.41
PSMA7 O14818 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMA1 P25786 3/20 0.41
PSMA2 P25787 3/20 0.41
PSMA3 P25788 3/20 0.41
PSMA4 P25789 3/20 0.41
PSMB8 P28062 3/20 0.41
PSMB9 P28065 3/20 0.41
PSMA5 P28066 3/20 0.41
PSMB4 P28070 3/20 0.41
PSMB6 P28072 3/20 0.41
PSMB5 P28074 3/20 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
SCHEMBL23230085 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL598356 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL20815350 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL6840497 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL29371746 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL22023402 0.91 MAPK1 (0.44) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL3744009 0.91 MAPK1 (0.44) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL4648918 0.91 MAPK1 (0.44) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL6479940 0.90 ITGB1 (0.47) ITGB1ITGA4ITGB7YAP1PSMB11
SCHEMBL7538622 0.90 ITGB1 (0.47) ITGB1ITGA4ITGB7YAP1PSMB11

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