SCHEMBL27475640

SCHEMBL27475640

CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(/C=C/C(=O)N4CCN(C(=O)OC(C)(C)C)C(CO)C4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)CC1CO

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.54
ICAM1 P05362 20/20 0.54
ITGAL P20701 20/20 0.54

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
SCHEMBL27514900 0.94 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL6199500 0.92 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL27689245 0.89 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL27551788 0.87 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL6201937 0.86 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL27474895 0.86 ITGAL (0.67) ITGB2ICAM1ITGAL
SCHEMBL27514902 0.84 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL27490232 0.84 ITGB2 (0.71) ITGB2ICAM1ITGAL
SCHEMBL27670226 0.83 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL27551783 0.82 ITGB2 (0.65) ITGB2ICAM1ITGAL

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