SCHEMBL6568435

SCHEMBL6568435

O=C(/C=C/c1ccc(Sc2ccc(/C=C/C(=O)N3CCSCC3)c(Cl)c2Cl)c(Cl)c1Cl)N1CCSCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 17/20 0.57
ITGB2 P05107 15/20 0.57
ICAM1 P05362 15/20 0.57
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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 0.84 ITGAL (0.76) ITGALITGB2ICAM1L3MBTL1
SCHEMBL6920036 0.84 ITGAL (0.76) ITGALITGB2ICAM1L3MBTL1
SCHEMBL6820886 0.81 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL6817415 0.77 SMN1; SMN2 (0.60) ITGALITGB2ICAM1MAPT
SCHEMBL8296823 0.76 ITGB2 (0.52) ITGALITGB2ICAM1MAPTL3MBTL1
SCHEMBL6493588 0.76 ITGAL (0.73) ITGALITGB2ICAM1
SCHEMBL6569818 0.76 ITGAL (0.73) ITGALITGB2ICAM1
SCHEMBL6317727 0.76 ITGAL (0.73) ITGALITGB2ICAM1
SCHEMBL6493194 0.76 ITGAL (0.73) ITGALITGB2ICAM1
SCHEMBL6312238 0.75 ITGAL (0.81) ITGALITGB2ICAM1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed