SCHEMBL4551973

SCHEMBL4551973

CC(C)(C)OC(=O)C(Cc1ccccc1)NOC(=O)N1CCC(O)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
YAP1 P46937 3/20 0.49
NTSR1 P30989 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
STS P08842 1/20 0.47
GAA P10253 2/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4551974 1.00 MAPK1 (0.54) MAPK1MAPTNPSR1KMT2APOLB
SCHEMBL4552706 0.89 ITGA4 (0.49) MAPK1MAPTNPSR1KMT2APOLB
SCHEMBL5610851 0.89 ITGA4 (0.49) MAPK1MAPTNPSR1KMT2APOLB
SCHEMBL4552705 0.89 ITGA4 (0.49) MAPK1MAPTNPSR1KMT2APOLB
SCHEMBL4551155 0.87 MAPT (0.49) MAPK1MAPTNPSR1KMT2APOLB
SCHEMBL4551152 0.87 MAPT (0.49) MAPK1MAPTNPSR1KMT2APOLB
SCHEMBL6162484 0.78 KMT2A (0.71) MAPK1KMT2A
SCHEMBL6162815 0.78 KMT2A (0.71) MAPK1KMT2A
SCHEMBL6162477 0.78 KMT2A (0.71) MAPK1KMT2A
SCHEMBL15346181 0.76 MAPK1 (0.53) MAPK1MAPTNPSR1KMT2APOLB

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 3 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-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