Sugi Predict

Sugi Predict / Compounds / SCHEMBL6311101

SCHEMBL6311101

SCHEMBL6311101

CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(/C=C/C(=O)N4CCN(C(C)=O)CC4)c(-c4ccc(N)cc4O)c3Cl)c(Cl)c2-c2ccc(N)cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 20/20 0.52
▸ ITGB2 P05107 16/20 0.52
▸ ICAM1 P05362 16/20 0.52

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
SCHEMBL6310173 0.86 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL5830861 0.84 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6198450 0.82 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL6196756 0.80 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL5830188 0.79 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL6200161 0.78 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL6196829 0.78 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL6315907 0.78 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL6311108 0.78 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL5836086 0.78 ITGAL (0.49) 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
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 — — US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 — — US disclosed
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