SCHEMBL7063009

SCHEMBL7063009

O=C(/C=C/c1cc[c]c(C(F)(F)F)c1C(F)(F)F)N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.41
ICAM1 P05362 18/20 0.41
ITGAL P20701 18/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7065998 0.85 ITGB2 (0.51) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL7064160 0.81 F2R (0.38) ITGB2ICAM1ITGAL
SCHEMBL7065203 0.81 ITGB2 (0.35) ITGB2ICAM1ITGAL
SCHEMBL6813244 0.78 HRH3 (0.38) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL27577331 0.78 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL7065799 0.76 GPR183 (0.36) ITGB2ICAM1ITGAL
SCHEMBL6921387 0.76 L3MBTL1 (0.42) ITGB2ICAM1ITGALLMNAGAA
SCHEMBL7063010 0.73 RBP4 (0.38)
SCHEMBL9653792 0.71 GPR183 (0.60) LMNAGAAHPGDSMN1; SMN2
SCHEMBL9653786 0.71 GPR183 (0.60) LMNAGAAHPGDSMN1; SMN2

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