SCHEMBL7616083

SCHEMBL7616083

COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCN(CC(=O)O)CC2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.74
ITGB2 P05107 18/20 0.74
ICAM1 P05362 18/20 0.74

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
SCHEMBL6197154 1.00 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL6194910 0.90 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL7616712 0.90 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL6199465 0.85 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6197145 0.82 ITGAL (0.50) ITGALITGB2ICAM1
SCHEMBL6308519 0.80 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL6197120 0.80 ITGAL (0.47) ITGALITGB2ICAM1
SCHEMBL6310951 0.78 ITGAL (0.73) ITGALITGB2ICAM1
SCHEMBL6317425 0.78 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL7612106 0.77 ITGB2 (0.54) 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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed