Sugi Predict

Sugi Predict / Compounds / SCHEMBL6310845

SCHEMBL6310845

SCHEMBL6310845

O=C(O)C1CCCN(c2cccc(-c3cc(Sc4cc(-c5cccc(N6CCC[C@@H](C(=O)O)C6)c5)c(/C=C/C(=O)N5CCOCC5)c(C(F)(F)F)c4C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c3/C=C/C(=O)N3CCOCC3)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.48
▸ ICAM1 P05362 20/20 0.48
▸ ITGAL P20701 20/20 0.48

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
SCHEMBL6311223 1.00 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6308901 1.00 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6405996 0.91 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6318242 0.87 POLB (0.42) ITGB2ICAM1ITGAL
SCHEMBL6310419 0.82 ITGAL (0.47) ITGB2ICAM1ITGAL
SCHEMBL6311209 0.82 ITGAL (0.45) ITGB2ICAM1ITGAL
SCHEMBL6312029 0.81 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6316931 0.80 NOTUM (0.45) ITGB2ICAM1ITGAL
SCHEMBL6311392 0.79 ITGAL (0.42) ITGB2ICAM1ITGAL
SCHEMBL6311336 0.77 POLB (0.44) ITGB2ICAM1ITGAL

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