SCHEMBL6920036

SCHEMBL6920036

O=C(/C=C/c1ccc(Sc2ccc(/C=C/C(=O)N3CCOCC3)c(Cl)c2Cl)c(Cl)c1Cl)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 14/20 0.76
ITGB2 P05107 12/20 0.76
ICAM1 P05362 12/20 0.76
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL7641657 1.00 ITGAL (0.76) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6493588 0.90 ITGAL (0.73) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6493194 0.90 ITGAL (0.73) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6317727 0.90 ITGAL (0.73) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6569818 0.90 ITGAL (0.73) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6310695 0.86 ITGAL (0.68) ITGALITGB2ICAM1L3MBTL1
SCHEMBL6568431 0.86 ITGAL (0.68) ITGALITGB2ICAM1L3MBTL1
SCHEMBL7645229 0.86 ITGAL (0.62) ITGALITGB2ICAM1
SCHEMBL6567852 0.85 ITGAL (0.61) ITGALITGB2ICAM1
SCHEMBL6568435 0.84 ITGAL (0.57) ITGALITGB2ICAM1L3MBTL1

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 3 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
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed