SCHEMBL6316947

SCHEMBL6316947

O=C(O)C1CCN(C(=O)C=Cc2ccc(Sc3cccc(N4CCCC(C(=O)O)C4)c3)c(Cl)c2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.62
ITGB2 P05107 15/20 0.62
ICAM1 P05362 15/20 0.62
NOTUM Q6P988 1/20 0.45

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
SCHEMBL6567891 0.93 ITGAL (0.57) ITGALITGB2ICAM1
SCHEMBL6318248 0.93 ITGAL (0.57) ITGALITGB2ICAM1
SCHEMBL6568662 0.90 ITGAL (0.63) ITGALITGB2ICAM1
SCHEMBL6308954 0.90 ITGAL (0.63) ITGALITGB2ICAM1
SCHEMBL6311978 0.90 ITGAL (0.50) ITGALITGB2ICAM1NOTUM
SCHEMBL6309514 0.88 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6567814 0.88 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6568313 0.87 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL6568829 0.87 ITGAL (0.63) ITGALITGB2ICAM1
SCHEMBL6310433 0.87 ITGAL (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
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
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed