SCHEMBL7618907

SCHEMBL7618907

CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.79
ICAM1 P05362 20/20 0.79
ITGAL P20701 20/20 0.79

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
SCHEMBL6198259 1.00 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL6196540 0.95 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL7614662 0.95 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL27524482 0.91 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL7620140 0.91 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL6200783 0.91 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL6197036 0.90 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL7614504 0.89 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL6201024 0.89 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL7619696 0.86 ITGB2 (0.68) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed