SCHEMBL7540918

SCHEMBL7540918

O=C(NCCCC(NC(=O)c1c(Cl)cccc1Cl)C(=O)O)c1ccc(-c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 15/20 0.51
HIF1A Q16665 1/20 0.47
ITGB1 P05556 3/20 0.47
ITGA5 P08648 1/20 0.47
C3AR1 Q16581 1/20 0.46
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46

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
SCHEMBL7548629 0.87 ITGB1 (0.55) FOLH1ITGB1ITGA5ITGA4ITGB7
SCHEMBL7539479 0.83 ITGB1 (0.54) FOLH1ITGB1ITGA5ITGA4
SCHEMBL7540907 0.81 ITGB1 (0.46) FOLH1ITGB1ITGA5ITGA4ITGB7
SCHEMBL7545114 0.80 ITGB2 (0.57) FOLH1ITGB1ITGA5ITGA4ITGB7
SCHEMBL7538483 0.79 ITGB1 (0.50) FOLH1ITGB1ITGA5ITGA4ITGB7
SCHEMBL7544739 0.79 ITGB2 (0.56) FOLH1ITGB1ITGA5ITGA4ITGB7
SCHEMBL7542115 0.78 TAAR1 (0.50) FOLH1ITGB1ITGA5ITGA4ITGB7
SCHEMBL8975695 0.76 FOLH1 (0.59) FOLH1
SCHEMBL10801725 0.76 FOLH1 (0.59) FOLH1
SCHEMBL7545928 0.76 ITGB1 (0.53) ITGB1ITGA5ITGA4ITGB7

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