SCHEMBL4566264

SCHEMBL4566264

O=C(O)[C@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)N(C(=O)C1CS(=O)(=O)CCN1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.37
ITGA4 P13612 3/20 0.37
ITGB7 P26010 3/20 0.37
ITGAV P06756 1/20 0.37
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
GAA P10253 3/20 0.34
NPY2R P49146 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL3868793 0.93 CYP2C9 (0.43) ITGB1ITGA4ITGB7KMT2AKDM4E
SCHEMBL3872421 0.90 P2RX7 (0.36) ITGB1ITGA4ITGB7ITGAVKMT2A
SCHEMBL5655126 0.87 CYP2C9 (0.39) ITGB1ITGA4ITGB7KMT2AKDM4E
SCHEMBL3869878 0.84 CYP1A2 (0.41) KMT2ARAB9AMEN1CYP2C9CYP1A2
SCHEMBL3870610 0.84 P2RX7 (0.37) ITGB1ITGA4ITGB7ITGAVNPY2R
SCHEMBL3870277 0.78 PTGES (0.35) ITGB1ITGA4KMT2AMEN1GAA
SCHEMBL3869306 0.77 P2RX7 (0.36) KMT2AMEN1CYP2C9CYP1A2CYP2C19
SCHEMBL3869905 0.77 ITGB1 (0.33) ITGB1ITGA4KMT2AKDM4ESMN1; SMN2
SCHEMBL3872663 0.77 P2RX7 (0.37) ITGB1ITGA4ITGB7KMT2AMEN1
SCHEMBL3870165 0.77 ITGB1 (0.34) ITGB1ITGA4MAPTITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 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-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 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
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 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