SCHEMBL7615434

SCHEMBL7615434

CC(=O)N1CCN(C(=O)C=Cc2ccc(Sc3ccc(C=CC(=O)N4CCN(C(C)=O)CC4)cc3C(F)(F)F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.79
ITGB2 P05107 17/20 0.79
ICAM1 P05362 17/20 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
SCHEMBL27490961 1.00 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL27474902 1.00 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL7618572 0.94 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL6198440 0.94 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL5830035 0.92 ITGAL (0.78) ITGALITGB2ICAM1
SCHEMBL6196866 0.91 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL7621281 0.91 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL6199347 0.90 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL6198485 0.89 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6197136 0.87 ITGAL (0.69) ITGALITGB2ICAM1

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
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed