SCHEMBL6568600

SCHEMBL6568600

O=C(O)C1CCN(c2cccc(Sc3ccc(/C=C/C(=O)N4CCC(O)CC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.65
ICAM1 P05362 20/20 0.65
ITGAL P20701 20/20 0.65

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
SCHEMBL6310429 1.00 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL6569923 0.91 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL6311224 0.91 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL7642569 0.91 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL6568656 0.88 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL6311400 0.88 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL6309514 0.86 ITGAL (0.64) ITGB2ICAM1ITGAL
SCHEMBL6567814 0.86 ITGAL (0.64) ITGB2ICAM1ITGAL
SCHEMBL6310400 0.82 ITGAL (0.43) ITGB2ICAM1ITGAL
SCHEMBL27577331 0.81 ITGB2 (0.63) 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 1 patent. 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