SCHEMBL6473988

SCHEMBL6473988

CC(C)C[C@H](NC(=O)COc1ccccc1C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(NC(=O)C(C3CCCCC3)C3CCCCC3)CC2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PSMB11 A5LHX3 2/20 0.40
PSMA7 O14818 2/20 0.40
PSMB1 P20618 2/20 0.40
PSMA1 P25786 2/20 0.40
PSMA2 P25787 2/20 0.40
PSMA3 P25788 2/20 0.40
PSMA4 P25789 2/20 0.40
PSMB8 P28062 2/20 0.40
PSMB9 P28065 2/20 0.40
PSMA5 P28066 2/20 0.40
PSMB4 P28070 2/20 0.40
PSMB6 P28072 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB10 P40306 2/20 0.40
PSMB3 P49720 2/20 0.40
PSMB2 P49721 2/20 0.40
PSMA6 P60900 2/20 0.40

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
SCHEMBL6480778 0.92 YAP1 (0.48) YAP1L3MBTL1KDM4EPSMB11PSMA7
SCHEMBL6480791 0.91 YAP1 (0.46) YAP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6478253 0.91 L3MBTL1 (0.42) YAP1L3MBTL1KDM4EPSMB11PSMA7
SCHEMBL6473339 0.89 PSMB11 (0.44) YAP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6481324 0.88 MAPK1 (0.44) YAP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL7539927 0.88 MAPK1 (0.44) YAP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6480951 0.87 MAPK1 (0.47) YAP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6474215 0.86 ITGB1 (0.46) YAP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6478996 0.85 CACNA1B (0.47) YAP1KDM4EPSMB11PSMA7PSMB1
SCHEMBL6474173 0.85 PSMB11 (0.41) YAP1L3MBTL1PSMB11PSMA7PSMB1

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 9 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-1486503-A1 Derivatives of benzothiazine and benzothiadiazine, procedure for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2004-12-15 EP 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