SCHEMBL7544017

SCHEMBL7544017

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.50
ITGA4 P13612 15/20 0.50
ITGB7 P26010 4/20 0.50
ITGA2 P17301 1/20 0.50
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
ITGA5 P08648 3/20 0.47
PYGL P06737 1/20 0.45

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
SCHEMBL7539807 0.99 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7545114 0.88 ITGB2 (0.57) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7544739 0.87 ITGB2 (0.56) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7544009 0.84 TAS1R3 (0.52) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7539797 0.83 TAS1R3 (0.51) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7539479 0.81 ITGB1 (0.54) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL22923257 0.81 ITGB2 (0.56) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7538523 0.81 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL31445679 0.80 ITGB2 (0.57) ITGB1ITGA4ITGB7ITGA2ITGB2
SCHEMBL7548629 0.79 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA2ITGB2

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