SCHEMBL7065472

SCHEMBL7065472

CCCCOc1cccc(-c2cc(Sc3cc(-c4cccc(OCCCC)c4)c(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c2/C=C/C(=O)N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.51
ICAM1 P05362 18/20 0.51
ITGAL P20701 18/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL6530920 0.86 RAB9A (0.49) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL7065447 0.85 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL6312029 0.83 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6917194 0.82 RAB9A (0.52) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL6405996 0.76 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6310228 0.76 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6311223 0.74 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6308901 0.74 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6310845 0.74 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6919943 0.71 ITGAL (0.52) ITGB2ICAM1ITGALNPC1RAB9A

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-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed