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Sugi Predict / Compounds / SCHEMBL4655413

SCHEMBL4655413

SCHEMBL4655413

CC(OC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl)C(C)(C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 19/20 0.70
▸ ITGAV P06756 5/20 0.70
▸ ITGA4 P13612 12/20 0.48
▸ ITGB7 P26010 9/20 0.48
▸ ITGA5 P08648 6/20 0.43
▸ ITGB3 P05106 3/20 0.39
▸ ITGA2 P17301 1/20 0.38

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
SCHEMBL4625588 0.87 ITGB1 (0.73) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3317515 0.86 ITGB1 (0.75) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3319924 0.86 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3315770 0.86 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL8353596 0.86 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3313570 0.83 ITGB1 (0.70) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL8352229 0.83 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3316398 0.83 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3313373 0.83 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3313356 0.83 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5

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-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 — — EP claimed