SCHEMBL7259117

SCHEMBL7259117

CCCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 1.00
ITGA4 P13612 20/20 1.00

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
SCHEMBL7105570 0.95 ITGB1 (0.90) ITGB1ITGA4
SCHEMBL7259432 0.93 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7258974 0.91 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL7102737 0.91 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL7100767 0.90 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7105076 0.90 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL7105237 0.89 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7099573 0.89 ITGB1 (0.82) ITGB1ITGA4
SCHEMBL7099434 0.88 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7258968 0.88 ITGB1 (0.81) 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