SCHEMBL5830188

SCHEMBL5830188

CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(/C=C/C(=O)N4CCN(C(C)=O)CC4)c(-c4ccc(C)cc4)c3Cl)c(Cl)c2-c2ccc(C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.53
ITGB2 P05107 14/20 0.53
ICAM1 P05362 14/20 0.53
MAPT P10636 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL6198450 0.86 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL5830434 0.83 ITGAL (0.51) ITGALITGB2ICAM1MAPT
SCHEMBL6199246 0.83 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6196483 0.82 ITGAL (0.62) ITGALITGB2ICAM1
SCHEMBL6201362 0.82 ITGAL (0.60) ITGALITGB2ICAM1
SCHEMBL6199341 0.81 ITGAL (0.61) ITGALITGB2ICAM1
SCHEMBL5830861 0.80 ITGAL (0.64) ITGALITGB2ICAM1ENPP2
SCHEMBL6310173 0.80 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL6199876 0.79 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL5830177 0.79 ITGAL (0.53) ITGALITGB2ICAM1MAPT

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
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed