SCHEMBL27475643

SCHEMBL27475643

COC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(/C=C/C(=O)N4CCN(C(=O)OC)CC4C(=O)O)cc3C(F)(F)F)c(C(F)(F)F)c2)C(C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 17/20 0.60
ITGB2 P05107 14/20 0.60
ICAM1 P05362 14/20 0.60
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL27490239 0.93 ITGAL (0.52) ITGALITGB2ICAM1MMP2ANPEP
SCHEMBL6199502 0.90 ITGAL (0.58) ITGALITGB2ICAM1
SCHEMBL6199361 0.88 ITGAL (0.67) ITGALITGB2ICAM1
SCHEMBL27491651 0.88 ITGAL (0.67) ITGALITGB2ICAM1
SCHEMBL27492003 0.86 ITGAL (0.49) ITGALITGB2ICAM1MMP2ANPEP
SCHEMBL6199024 0.83 ITGAL (0.51) ITGALITGB2ICAM1MMP2ANPEP
SCHEMBL7851061 0.83 ITGB2 (0.83) ITGALITGB2ICAM1
SCHEMBL27557332 0.83 ITGB2 (0.83) ITGALITGB2ICAM1
SCHEMBL27475644 0.82 ITGAL (0.49) ITGALITGB2ICAM1MMP2ANPEP
SCHEMBL6197050 0.81 ITGAL (0.67) 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