SCHEMBL4551152

SCHEMBL4551152

CC(C)(C)OC(=O)C(Cc1ccccc1)NOC(=O)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
YAP1 P46937 2/20 0.44
MLYCD O95822 1/20 0.44
NTSR1 P30989 1/20 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
SCHEMBL4551155 1.00 MAPT (0.49) MAPTMAPK1POLBNPSR1MEN1
SCHEMBL4552705 0.91 ITGA4 (0.49) MAPTMAPK1POLBNPSR1MEN1
SCHEMBL5610851 0.91 ITGA4 (0.49) MAPTMAPK1POLBNPSR1MEN1
SCHEMBL4552706 0.91 ITGA4 (0.49) MAPTMAPK1POLBNPSR1MEN1
SCHEMBL4551974 0.87 MAPK1 (0.54) MAPTMAPK1POLBNPSR1MEN1
SCHEMBL4551973 0.87 MAPK1 (0.54) MAPTMAPK1POLBNPSR1MEN1
SCHEMBL8064990 0.86 ITGB3 (0.47) POLBKMT2AGAA
SCHEMBL8064984 0.86 ITGB3 (0.47) POLBKMT2AGAA
SCHEMBL4552475 0.80 ITGA4 (0.47) MAPTMAPK1POLBNPSR1MEN1
SCHEMBL4552476 0.80 ITGA4 (0.47) MAPTMAPK1POLBNPSR1MEN1

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
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
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed