SCHEMBL6570025

SCHEMBL6570025

O=C(O)C1CCCN(c2ccccc2Sc2ccc(/C=C/C(=O)N3CCN(CCO)CC3)c(Cl)c2Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 17/20 0.54
ITGB2 P05107 15/20 0.54
ICAM1 P05362 15/20 0.54
NOTUM Q6P988 2/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6309616 1.00 ITGAL (0.54) ITGALITGB2ICAM1NOTUMMAPT
SCHEMBL6567037 0.87 ITGB2 (0.56) ITGALITGB2ICAM1
SCHEMBL6311621 0.87 ITGB2 (0.56) ITGALITGB2ICAM1
SCHEMBL6309589 0.83 ITGB2 (0.38) ITGALITGB2ICAM1NOTUM
SCHEMBL6309561 0.82 ITGB2 (0.48) ITGALITGB2ICAM1NOTUM
SCHEMBL6570439 0.81 ITGB2 (0.54) ITGALITGB2ICAM1
SCHEMBL6311806 0.81 ITGB2 (0.54) ITGALITGB2ICAM1
SCHEMBL6569800 0.78 ITGAL (0.69) ITGALITGB2ICAM1
SCHEMBL6310199 0.78 ITGAL (0.69) ITGALITGB2ICAM1
SCHEMBL6311423 0.77 ITGAL (0.58) ITGALITGB2ICAM1

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