SCHEMBL27475641

SCHEMBL27475641

CNC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(/C=C/C(=O)N4CCN(C(=O)NC)CC4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.81
ITGB2 P05107 19/20 0.81
ICAM1 P05362 19/20 0.81

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
SCHEMBL7850578 1.00 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL6200760 0.90 ITGB2 (1.00) ITGALITGB2ICAM1
SCHEMBL6736459 0.88 ITGAL (0.84) ITGALITGB2ICAM1
SCHEMBL27491649 0.88 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL28761950 0.88 ITGAL (0.84) ITGALITGB2ICAM1
SCHEMBL6736456 0.88 ITGAL (0.84) ITGALITGB2ICAM1
SCHEMBL27490962 0.87 ITGAL (0.67) ITGALITGB2ICAM1
SCHEMBL27492728 0.85 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL27474400 0.85 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL27492729 0.84 ITGAL (0.70) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN claimed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN claimed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN claimed
CN-1955164-A Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LAB (US) 2007-05-02 CN disclosed
CN-1680338-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-10-12 CN disclosed
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN disclosed