SCHEMBL6740156

SCHEMBL6740156

CC(OCCO)C1CCN(C(=O)C=Cc2ccc(Sc3ccc(Cl)cc3Cl)c(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.62
ITGB2 P05107 18/20 0.62
ICAM1 P05362 18/20 0.62

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
SCHEMBL5830014 0.86 ITGAL (0.66) ITGALITGB2ICAM1
SCHEMBL27524481 0.82 ITGAL (0.59) ITGALITGB2ICAM1
SCHEMBL6740154 0.79 ITGAL (0.36) ITGALITGB2ICAM1
SCHEMBL7839031 0.79 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL5830508 0.79 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL7613089 0.79 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL5830848 0.78 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL5830736 0.77 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5830866 0.77 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL27492009 0.74 ITGAL (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed