SCHEMBL7645229

SCHEMBL7645229

O=C(/C=C/c1ccc(Sc2cccc(O)c2)c(Cl)c1Cl)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.62
ITGB2 P05107 17/20 0.62
ICAM1 P05362 17/20 0.62

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
SCHEMBL6567852 0.89 ITGAL (0.61) ITGALITGB2ICAM1
SCHEMBL7641657 0.86 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL6920036 0.86 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL14362573 0.83 ITGB2 (0.75) ITGALITGB2ICAM1
SCHEMBL5451523 0.83 ITGB2 (0.75) ITGALITGB2ICAM1
SCHEMBL14066369 0.83 ITGB2 (0.81) ITGALITGB2ICAM1
SCHEMBL4890594 0.83 ITGB2 (0.81) ITGALITGB2ICAM1
SCHEMBL6311347 0.82 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL14362592 0.81 ITGB2 (0.77) ITGALITGB2ICAM1
SCHEMBL5451755 0.81 ITGB2 (0.77) 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
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