SCHEMBL6478978

SCHEMBL6478978

CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
PSMB11 A5LHX3 4/20 0.43
PSMA7 O14818 4/20 0.43
PSMB1 P20618 4/20 0.43
PSMA1 P25786 4/20 0.43
PSMA2 P25787 4/20 0.43
PSMA3 P25788 4/20 0.43
PSMA4 P25789 4/20 0.43
PSMB8 P28062 4/20 0.43
PSMB9 P28065 4/20 0.43
PSMA5 P28066 4/20 0.43
PSMB4 P28070 4/20 0.43
PSMB6 P28072 4/20 0.43
PSMB5 P28074 4/20 0.43
PSMB10 P40306 4/20 0.43
PSMB3 P49720 4/20 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
SCHEMBL6472835 0.96 CASP1 (0.51) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474177 0.91 CASP1 (0.49) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6481246 0.90 PSMB11 (0.45) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL6473339 0.89 PSMB11 (0.44) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL6481561 0.88 PSMB11 (0.45) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6479150 0.88 CASP1 (0.52) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6479167 0.88 PSMB11 (0.42) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL6472845 0.86 MEN1 (0.46) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6473896 0.85 PSMB11 (0.44) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6480791 0.84 YAP1 (0.46) CASP1CASP3CASP7CASP6CASP8

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 6 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