SCHEMBL7263195

SCHEMBL7263195

CCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.62
ITGA4 P13612 18/20 0.62
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.48

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
SCHEMBL7263202 1.00 ITGB1 (0.62) ITGB1ITGA4MEN1KMT2AHPGD
SCHEMBL7100894 0.88 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL7100888 0.88 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL7103669 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7103667 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7105636 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7105631 0.85 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL7107384 0.85 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL7107392 0.85 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL7264369 0.84 ITGB1 (0.61) 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