SCHEMBL7065447

SCHEMBL7065447

CCCCOc1ccccc1-c1cc(Sc2cc(-c3ccccc3OCCCC)c(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1/C=C/C(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 19/20 0.53
ICAM1 P05362 19/20 0.53
ITGAL P20701 19/20 0.53

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
SCHEMBL6919943 0.86 ITGAL (0.52) ITGB2ICAM1ITGAL
SCHEMBL7065472 0.85 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6310228 0.82 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6194904 0.77 ITGAL (0.48) ITGB2ICAM1ITGAL
SCHEMBL6197145 0.77 ITGAL (0.50) ITGB2ICAM1ITGAL
SCHEMBL6310203 0.76 ITGAL (0.49) ITGB2ICAM1ITGAL
SCHEMBL6199452 0.76 ITGAL (0.68) ITGB2ICAM1ITGAL
SCHEMBL6312029 0.76 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6308513 0.71 ITGAL (0.55) ITGB2ICAM1ITGAL
SCHEMBL6530920 0.71 RAB9A (0.49) 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 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 claimed