SCHEMBL6309906

SCHEMBL6309906

CC(C)c1ccccc1Sc1ccc(C=CC(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.72
ICAM1 P05362 20/20 0.72
ITGAL P20701 20/20 0.72

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
SCHEMBL7662351 0.91 ITGB2 (0.86) ITGB2ICAM1ITGAL
SCHEMBL6311748 0.86 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL5830335 0.84 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL6198327 0.83 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL6196279 0.82 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL6317156 0.81 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL6198324 0.81 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL6311339 0.80 ITGAL (0.69) ITGB2ICAM1ITGAL
SCHEMBL6316019 0.80 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL6198678 0.79 ITGB2 (0.68) 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-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