SCHEMBL7839031

SCHEMBL7839031

O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCN(CCOCCO)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.68
ITGB2 P05107 18/20 0.68
ICAM1 P05362 18/20 0.68
GPR183 P32249 1/20 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
SCHEMBL5830848 0.90 ITGAL (0.77) ITGALITGB2ICAM1GPR183
SCHEMBL27551793 0.86 ITGAL (0.69) ITGALITGB2ICAM1GPR183
SCHEMBL5830009 0.82 ITGAL (0.46) ITGALITGB2ICAM1GPR183
SCHEMBL5830736 0.82 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5830014 0.81 ITGAL (0.66) ITGALITGB2ICAM1
SCHEMBL5830866 0.80 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6740156 0.79 ITGAL (0.62) ITGALITGB2ICAM1
SCHEMBL5830012 0.78 TP53 (0.41) ITGALITGB2ICAM1
SCHEMBL27473980 0.77 ITGAL (0.91) ITGALITGB2ICAM1
SCHEMBL27524481 0.77 ITGAL (0.59) 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-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO disclosed