SCHEMBL4552706

SCHEMBL4552706

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NOC(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
YAP1 P46937 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MLYCD O95822 1/20 0.46

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
SCHEMBL4552705 1.00 ITGA4 (0.49) ITGA4ITGB7POLBMAPTMAPK1
SCHEMBL5610851 0.98 ITGA4 (0.49) ITGA4ITGB7POLBMAPTMAPK1
SCHEMBL4551155 0.91 MAPT (0.49) ITGA4ITGB7POLBMAPTMAPK1
SCHEMBL4551152 0.91 MAPT (0.49) ITGA4ITGB7POLBMAPTMAPK1
SCHEMBL4551974 0.89 MAPK1 (0.54) ITGA4ITGB7POLBMAPTMAPK1
SCHEMBL4551973 0.89 MAPK1 (0.54) ITGA4ITGB7POLBMAPTMAPK1
SCHEMBL3581461 0.84 POLB (0.49) POLBMEN1KMT2ANPSR1GAA
SCHEMBL3581462 0.84 POLB (0.49) POLBMEN1KMT2ANPSR1GAA
SCHEMBL23999577 0.79 ITGA4 (0.58) ITGA4ITGB7POLBMAPTNPSR1
SCHEMBL23901563 0.79 ITGA4 (0.58) ITGA4ITGB7POLBMAPTNPSR1

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
EP-1592387-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2009-05-06 EP disclosed
EP-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP disclosed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
EP-1592387-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
WO-2004066932-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed