SCHEMBL27475646

SCHEMBL27475646

CCS(=O)(=O)NC(=O)C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.75
ITGB2 P05107 14/20 0.75
ICAM1 P05362 14/20 0.75
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL6198654 1.00 ITGAL (0.75) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27490235 0.92 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL6197693 0.92 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL6195722 0.89 ITGAL (0.82) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27476333 0.89 ITGAL (0.82) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6196891 0.86 ITGAL (1.00) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27492007 0.86 ITGAL (0.78) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27473969 0.86 ITGAL (0.78) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6201065 0.86 ITGAL (0.78) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6196029 0.83 ITGAL (0.91) 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