SCHEMBL4552476

SCHEMBL4552476

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NOC(=O)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
POLB P06746 3/20 0.47
MLYCD O95822 1/20 0.44
REN P00797 2/20 0.44
ABCB1 P08183 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ATM Q13315 1/20 0.43
ACE P12821 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
SCHEMBL4552475 1.00 ITGA4 (0.47) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL4412296 0.86 ITGB3 (0.48) TDP1POLB
SCHEMBL4412293 0.86 ITGB3 (0.48) TDP1POLB
SCHEMBL4551155 0.80 MAPT (0.49) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL4551152 0.80 MAPT (0.49) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL15357358 0.80 ITGA4 (0.49) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL18287099 0.80 ITGA4 (0.49) ITGA4ITGB7MAPTTDP1POLB
Hydrochloric Acid SCHEMBL15346182 0.79 ITGA4 (0.48) ITGA4ITGB7MAPTTDP1POLB
Hydrochloric Acid SCHEMBL15346186 0.79 ITGA4 (0.48) ITGA4ITGB7MAPTTDP1POLB
Hydrochloric Acid SCHEMBL15346184 0.79 ITGA4 (0.48) ITGA4ITGB7MAPTTDP1POLB

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 5 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
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