SCHEMBL6201742

SCHEMBL6201742

C=C(C(=O)N1CCN(C(C)=O)CC1)c1ccc(Sc2ccc(N)cc2O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 14/20 0.42
ITGB2 P05107 13/20 0.42
ICAM1 P05362 13/20 0.42
CASP6 P55212 1/20 0.36
GFER P55789 1/20 0.36
HSP90AA1 P07900 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSP90AB1 P08238 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7849244 0.89 ITGAL (0.50) ITGALITGB2ICAM1HSP90AA1ALDH1A1
SCHEMBL6194517 0.86 ITGAL (0.47) ITGALITGB2ICAM1ALDH1A1HPGD
SCHEMBL5830859 0.85 ITGAL (0.57) ITGALITGB2ICAM1HSP90AA1ALDH1A1
SCHEMBL6198447 0.81 ITGAL (0.48) ITGALITGB2ICAM1ALDH1A1HPGD
SCHEMBL5830185 0.80 ITGAL (0.50) ITGALITGB2ICAM1ALDH1A1HPGD
SCHEMBL6196832 0.78 ITGAL (0.62) ITGALITGB2ICAM1ALDH1A1HPGD
SCHEMBL5836083 0.78 ITGAL (0.41) ITGALITGB2ICAM1ALDH1A1HPGD
SCHEMBL6200163 0.78 ITGAL (0.43) ITGALITGB2ICAM1ALDH1A1LMNA
SCHEMBL6196752 0.78 ALDH1A1 (0.44) ITGALITGB2ICAM1ALDH1A1HPGD
SCHEMBL5829924 0.77 ITGAL (0.64) ITGALITGB2ICAM1ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed