SCHEMBL6568044

SCHEMBL6568044

O=C(/C=C/c1ccc(Sc2cccc(Br)c2)c(Cl)c1Cl)N1CC=CCC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.49
ITGB2 P05107 18/20 0.49
ICAM1 P05362 18/20 0.49

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
SCHEMBL6312354 1.00 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL6567852 0.84 ITGAL (0.61) ITGALITGB2ICAM1
SCHEMBL6308765 0.82 ITGAL (0.57) ITGALITGB2ICAM1
SCHEMBL6311978 0.79 ITGAL (0.50) ITGALITGB2ICAM1
SCHEMBL6568853 0.79 ITGB2 (0.43) ITGALITGB2ICAM1
SCHEMBL6316878 0.79 ITGB2 (0.43) ITGALITGB2ICAM1
SCHEMBL6312339 0.78 NPC1 (0.32) ITGALITGB2ICAM1
SCHEMBL6315913 0.77 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL6567825 0.77 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL6312345 0.76 ITGAL (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed