SCHEMBL6569800

SCHEMBL6569800

CC(=O)N1CCN(c2ccccc2Sc2ccc(/C=C/C(=O)N3CCC(C(=O)O)CC3)c(Cl)c2Cl)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.69
ITGB2 P05107 14/20 0.69
ICAM1 P05362 14/20 0.69

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
SCHEMBL6310199 1.00 ITGAL (0.69) ITGALITGB2ICAM1
SCHEMBL6820886 0.85 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL6315970 0.83 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL4283196 0.82 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL4283189 0.82 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6198419 0.82 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6310189 0.81 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL6310165 0.80 ITGB2 (0.45) ITGALITGB2ICAM1
SCHEMBL6199035 0.80 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL6495878 0.79 ITGAL (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed