SCHEMBL5719932

SCHEMBL5719932

CCOC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.50
ITGB1 P05556 4/20 0.50
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTA4H P09960 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5719938 1.00 ITGA4 (0.50) ITGA4ITGB1LMNAL3MBTL1LTA4H
SCHEMBL5719575 0.89 ITGA4 (0.55) ITGA4ITGB1LTA4H
SCHEMBL6561273 0.89 ITGA4 (0.55) ITGA4ITGB1LTA4H
Hydrochloric Acid SCHEMBL6509920 0.88 ITGA4 (0.54) ITGA4ITGB1LTA4H
SCHEMBL7215569 0.88 ITGA4 (0.52) ITGA4ITGB1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5719618 0.86 ITGA4 (0.48) ITGA4ITGB1LTA4HSMN1; SMN2
SCHEMBL5719732 0.86 ITGA4 (0.48) ITGA4ITGB1LTA4HSMN1; SMN2
SCHEMBL7207127 0.85 ITGA4 (0.55) ITGA4ITGB1LMNAL3MBTL1
SCHEMBL7098063 0.85 ITGA4 (0.48) ITGA4ITGB1LTA4H
SCHEMBL1312190 0.85 ITGA4 (0.55) ITGA4ITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668007-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS Ranbaxy Laboratories Limited (IN) 2006-06-14 EP disclosed
WO-2005026163-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-03-24 WO disclosed