SCHEMBL27490235

SCHEMBL27490235

CCS(=O)(=O)NC(=O)C1CCCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)C1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.76
ITGB2 P05107 16/20 0.76
ICAM1 P05362 16/20 0.76

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
SCHEMBL6197693 1.00 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL6198654 0.92 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL27475646 0.92 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL6199518 0.89 ITGAL (0.72) ITGALITGB2ICAM1
SCHEMBL27473568 0.88 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL27475299 0.86 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL6198458 0.86 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL27473967 0.86 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL6196029 0.82 ITGAL (0.91) ITGALITGB2ICAM1
SCHEMBL6198130 0.82 ITGAL (0.74) 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 7 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-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