SCHEMBL4412296

SCHEMBL4412296

O=C(ON[C@@H](Cc1ccccc1)C(=O)O)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.48
ITGA2B P08514 10/20 0.48
LMNA P02545 2/20 0.45
ITGAV P06756 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.42

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
SCHEMBL4412293 1.00 ITGB3 (0.48) ITGB3ITGA2BLMNAITGAVTDP1
SCHEMBL4552475 0.86 ITGA4 (0.47) TDP1POLB
SCHEMBL4552476 0.86 ITGA4 (0.47) TDP1POLB
SCHEMBL27503002 0.82 LMNA (0.68) LMNATDP1POLB
SCHEMBL2633261 0.80 LMNA (0.68) ITGB3ITGA2BLMNATDP1POLB
SCHEMBL7836030 0.78 LMNA (0.55) ITGB3ITGA2BLMNAITGAVTDP1
SCHEMBL7365216 0.78 LMNA (0.55) ITGB3ITGA2BLMNAITGAVTDP1
SCHEMBL22354877 0.77 ACE (0.49)
SCHEMBL8064984 0.77 ITGB3 (0.47) ITGB3ITGA2BPOLB
SCHEMBL8064990 0.77 ITGB3 (0.47) ITGB3ITGA2BPOLB

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