SCHEMBL6311748

SCHEMBL6311748

CC(C)c1ccccc1Sc1ccc(C=CC(=O)NCCCN2CCCC2=O)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.59
ICAM1 P05362 20/20 0.59
ITGAL P20701 20/20 0.59

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
SCHEMBL5830377 0.90 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL6309800 0.88 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL6309906 0.86 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL6198403 0.82 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL6197108 0.82 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL6317156 0.81 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL6198401 0.80 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL6310393 0.80 ITGAL (0.58) ITGB2ICAM1ITGAL
SCHEMBL6312299 0.76 ITGB2 (0.82) ITGB2ICAM1ITGAL
SCHEMBL6199684 0.75 ITGB2 (0.56) 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