SCHEMBL7612914

SCHEMBL7612914

O=C(O)C1CCCCN1C(=O)/C=C/c1ccc(Sc2ccc3c(c2)CCOO3)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.55
ITGB2 P05107 15/20 0.55
ICAM1 P05362 15/20 0.55
KMT2A Q03164 1/20 0.37

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
SCHEMBL7620000 0.89 ITGAL (0.47) ITGALITGB2ICAM1KMT2A
SCHEMBL6197946 0.87 ITGAL (0.72) ITGALITGB2ICAM1KMT2A
SCHEMBL7624289 0.85 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL6197945 0.82 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL7618237 0.82 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL7624300 0.81 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL7612983 0.80 ITGAL (0.62) ITGALITGB2ICAM1
SCHEMBL7616863 0.80 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL7611696 0.79 ITGAL (0.62) ITGALITGB2ICAM1
SCHEMBL6196751 0.78 ITGB2 (0.44) 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 disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed