SCHEMBL7065475

SCHEMBL7065475

C=C(C(=O)N1CCOCC1)c1ccc(Sc2cccc(OCCCC)c2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.52
ICAM1 P05362 20/20 0.52
ITGAL P20701 20/20 0.52

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
SCHEMBL6312268 0.88 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6530924 0.86 THRB (0.43) ITGB2ICAM1ITGAL
SCHEMBL7065452 0.84 ITGAL (0.51) ITGB2ICAM1ITGAL
SCHEMBL6312033 0.82 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6917200 0.81 ITGAL (0.42) ITGB2ICAM1ITGAL
SCHEMBL6405999 0.76 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6316116 0.75 ITGAL (0.46) ITGB2ICAM1ITGAL
SCHEMBL6310230 0.74 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL6308904 0.74 ITGB2 (0.47) ITGB2ICAM1ITGAL
SCHEMBL6315786 0.73 ITGAL (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed