SCHEMBL6570079

SCHEMBL6570079

CN(C)NS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cccc(N4CCC(C(=O)O)CC4)c3)c(Cl)c2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.54
ITGB2 P05107 15/20 0.54
ICAM1 P05362 15/20 0.54

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
SCHEMBL6317804 1.00 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL6308954 0.85 ITGAL (0.63) ITGALITGB2ICAM1
SCHEMBL6568662 0.85 ITGAL (0.63) ITGALITGB2ICAM1
SCHEMBL6813505 0.84 ITGAL (0.56) ITGALITGB2ICAM1
SCHEMBL6317378 0.84 ITGAL (0.59) ITGALITGB2ICAM1
SCHEMBL6568429 0.84 ITGAL (0.59) ITGALITGB2ICAM1
SCHEMBL6317772 0.84 ALDH1A1 (0.38) ITGALITGB2ICAM1
SCHEMBL6309514 0.84 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6567814 0.84 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6311347 0.83 ITGAL (0.65) 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 1 patent. 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