SCHEMBL7545114

SCHEMBL7545114

O=C(NC(CCCCC(NC(=O)c1c(Cl)cccc1Cl)C(=O)O)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.57
ICAM1 P05362 2/20 0.57
ITGAL P20701 2/20 0.57
ITGB1 P05556 15/20 0.53
ITGA4 P13612 11/20 0.53
ITGB7 P26010 4/20 0.53
ITGA2 P17301 1/20 0.53
FOLH1 Q04609 1/20 0.51
ITGA5 P08648 4/20 0.51
ITGAV P06756 1/20 0.49

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
SCHEMBL7544739 0.98 ITGB2 (0.56) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22923257 0.92 ITGB2 (0.56) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539479 0.92 ITGB1 (0.54) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7548629 0.90 ITGB1 (0.55) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544017 0.88 ITGB1 (0.50) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31060993 0.88 FOLH1 (0.55) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539807 0.87 ITGB1 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7538483 0.84 ITGB1 (0.50) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22983957 0.84 ITGB2 (0.64) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31445679 0.84 ITGB2 (0.57) ITGB2ICAM1ITGALITGB1ITGA4

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed