SCHEMBL7263235

SCHEMBL7263235

CC(C)[C@H](Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)c(=O)c1=O)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.84
ITGA4 P13612 20/20 0.84

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
SCHEMBL7259451 0.91 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7105528 0.89 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7104231 0.89 ITGB1 (0.89) ITGB1ITGA4
SCHEMBL7098954 0.89 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7098951 0.89 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7099976 0.88 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL7099977 0.88 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL7263251 0.87 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7104399 0.86 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL7100844 0.86 ITGB1 (0.79) 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