SCHEMBL6568439

SCHEMBL6568439

O=C(C=Cc1ccc(Sc2ccc(C=CC(=O)C3CNCCS3)c(Cl)c2Cl)c(Cl)c1Cl)C1CNCCS1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.37
ICAM1 P05362 6/20 0.37
ITGAL P20701 6/20 0.37

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
SCHEMBL6816987 0.73
SCHEMBL6817329 0.69 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6568833 0.69 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6568435 0.67 ITGAL (0.57) ITGB2ICAM1ITGAL
SCHEMBL28340253 0.66
SCHEMBL6567144 0.65 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL372523 0.63
SCHEMBL6820886 0.62 ITGAL (0.77) ITGB2ICAM1ITGAL
SCHEMBL7641657 0.62 ITGAL (0.76) ITGB2ICAM1ITGAL
SCHEMBL6920036 0.62 ITGAL (0.76) ITGB2ICAM1ITGAL

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