SCHEMBL6563330

SCHEMBL6563330

COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1CCC(=CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.47
ITGA4 P13612 20/20 0.47
ITGA2 P17301 1/20 0.45
ITGB7 P26010 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
SCHEMBL6560367 0.89 ITGB1 (0.53) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6560399 0.88 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6560402 0.88 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561292 0.81 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
SCHEMBL14799578 0.81 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7076135 0.80 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6563443 0.80 ITGA4 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6743406 0.79 ITGB1 (0.50) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6562552 0.79 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6562545 0.79 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7

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-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed