SCHEMBL7621048

SCHEMBL7621048

CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.79
ITGB2 P05107 18/20 0.79
ICAM1 P05362 18/20 0.79
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL5830363 1.00 ITGAL (0.79) ITGALITGB2ICAM1MAPTHTT
SCHEMBL27474895 0.92 ITGAL (0.67) ITGALITGB2ICAM1
SCHEMBL5830203 0.90 ITGAL (0.72) ITGALITGB2ICAM1MAPTHTT
SCHEMBL7619100 0.90 ITGAL (0.72) ITGALITGB2ICAM1MAPTHTT
SCHEMBL5829931 0.88 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5830196 0.86 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL8091330 0.85 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL7619718 0.85 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5830397 0.85 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL6199578 0.84 ITGAL (0.75) 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 4 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
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