SCHEMBL7618482

SCHEMBL7618482

CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)NC2CCCC2)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 17/20 0.62
ICAM1 P05362 17/20 0.62
ITGAL P20701 17/20 0.62
MAOB P27338 2/20 0.44

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
SCHEMBL6195786 1.00 ITGB2 (0.62) ITGB2ICAM1ITGALMAOB
SCHEMBL6194902 0.98 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL27490241 0.88 MAOB (0.54) ITGB2ICAM1ITGALMAOB
SCHEMBL27492373 0.86 MAOB (0.51) ITGB2ICAM1ITGALMAOB
SCHEMBL27474403 0.84 MAOB (0.47) ITGB2ICAM1ITGALMAOB
SCHEMBL5829912 0.84 ITGB2 (0.48) ITGB2ICAM1ITGALMAOB
SCHEMBL6195780 0.79 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL6197108 0.78 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL6194900 0.77 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL6198485 0.77 ITGAL (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed