SCHEMBL4448598

SCHEMBL4448598

CCOC(=O)C1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.54
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 3/20 0.45
CACNA1B Q00975 4/20 0.44
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
ITGB1 P05556 3/20 0.44
ITGB7 P26010 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
P2RX7 Q99572 2/20 0.43
ITGA5 P08648 1/20 0.42
FKBP1A P62942 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
SCHEMBL3857921 0.93 ITGA4 (0.54) ITGA4CACNA1BMMP1MMP13ADAM17
SCHEMBL4412343 0.92 ITGA4 (0.63) ITGA4KMT2AMEN1ALDH1A1MMP1
SCHEMBL3848814 0.92 ITGA4 (0.53) ITGA4CACNA1BMMP1MMP13ADAM17
SCHEMBL4431680 0.91 ITGA4 (0.51) ITGA4CACNA1BMMP1MMP13ADAM17
SCHEMBL3851145 0.91 ITGA4 (0.54) ITGA4KMT2ACACNA1BMMP1MMP13
SCHEMBL4458055 0.90 ITGA4 (0.51) ITGA4CACNA1BMMP1MMP13ADAM17
SCHEMBL3850110 0.90 ITGA4 (0.53) ITGA4CACNA1BMMP1MMP13ADAM17
SCHEMBL3854111 0.90 ITGA4 (0.53) ITGA4CACNA1BMMP1MMP13ADAM17
SCHEMBL3853214 0.89 ITGA4 (0.52) ITGA4ALDH1A1CACNA1BMMP1MMP13
SCHEMBL3849319 0.89 ITGA4 (0.51) ITGA4CACNA1BMMP1MMP13ADAM17

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP claimed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635871-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2007-07-18 EP disclosed
EP-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
EP-1635871-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed