SCHEMBL6568754

SCHEMBL6568754

O=C(O)/C=C/c1ccc(Sc2ccc(/C=C/C(=O)O)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 19/20 0.47
ICAM1 P05362 19/20 0.47
ITGAL P20701 19/20 0.47
MIF P14174 1/20 0.41

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
SCHEMBL6817159 1.00 ITGB2 (0.47) ITGB2ICAM1ITGALMIF
SCHEMBL6312904 0.82 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL5195443 0.82 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL6568758 0.80 MIF (0.44) MIF
SCHEMBL6567050 0.80 CA1 (0.49) MIF
SCHEMBL6567044 0.80 CA1 (0.49) MIF
SCHEMBL6310687 0.79 ITGAL (0.70) ITGB2ICAM1ITGAL
SCHEMBL5254352 0.76 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL5254346 0.76 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL7646849 0.76 ITGB2 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed