SCHEMBL7264135

SCHEMBL7264135

O=C(O)CC(Nc1c(N2CCSCC2)c(=O)c1=O)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.70
ITGA4 P13612 20/20 0.70

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
SCHEMBL7264141 1.00 ITGB1 (0.70) ITGB1ITGA4
SCHEMBL7103631 0.92 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7103627 0.92 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7105063 0.91 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7100024 0.89 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL7107313 0.89 ITGB1 (0.70) ITGB1ITGA4
SCHEMBL7107320 0.89 ITGB1 (0.70) ITGB1ITGA4
SCHEMBL7100028 0.89 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL7101271 0.88 ITGB1 (0.71) ITGB1ITGA4
SCHEMBL7101275 0.88 ITGB1 (0.71) ITGB1ITGA4

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
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 US disclosed