SCHEMBL6310684

SCHEMBL6310684

C=C(C(=O)O)c1ccc(Sc2ccc3c(c2)CCOO3)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.39
ITGB2 P05107 19/20 0.39
ICAM1 P05362 19/20 0.39

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
SCHEMBL6311930 0.84 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL6312906 0.72 ITGB2 (0.36) ITGALITGB2ICAM1
SCHEMBL6198868 0.70 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL6196026 0.69 ITGAL (0.47) ITGALITGB2ICAM1
SCHEMBL6197945 0.68 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL6200024 0.68 ITGB2 (0.37) ITGALITGB2ICAM1
SCHEMBL6195217 0.68 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL6198059 0.68 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL6196455 0.68 ITGAL (0.41) ITGALITGB2ICAM1
SCHEMBL6199269 0.68 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 2 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 disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed