SCHEMBL7620162

SCHEMBL7620162

CC(=O)N1CCN(C(=O)/C=C/c2cc[c]c(Cl)c2-c2ccc3c(c2)CCOO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.42
ITGB2 P05107 8/20 0.42
ICAM1 P05362 8/20 0.42
GPR183 P32249 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
CHEK1 O14757 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6220976 0.91 GPR183 (0.38) ITGALITGB2ICAM1GPR183KDM4E
SCHEMBL6222372 0.89 PARP14 (0.38) ITGALITGB2ICAM1GPR183KDM4E
SCHEMBL6219495 0.88 GPR183 (0.37) ITGALITGB2ICAM1GPR183KDM4E
SCHEMBL6219884 0.87 ITGAL (0.40) ITGALITGB2ICAM1GPR183KDM4E
SCHEMBL6199876 0.84 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL6218188 0.82 ITGAL (0.39) ITGALITGB2ICAM1GPR183KDM4E
SCHEMBL6221367 0.82 ITGB2 (0.52) ITGALITGB2ICAM1KDM4EALDH1A1
SCHEMBL6220050 0.81 ITGAL (0.39) ITGALITGB2ICAM1GPR183RAB9A
SCHEMBL6199888 0.80 ITGAL (0.41) ITGALITGB2ICAM1ENPP2ALDH1A1
SCHEMBL6220749 0.80 HTT (0.51) KDM4EENPP2ALDH1A1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO disclosed