SCHEMBL7259094

SCHEMBL7259094

CCCNc1c(N[C@@H](Cc2ccc(C#Cc3c(Cl)cccc3Cl)cc2)C(=O)OC)c(=O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.59
ITGA4 P13612 14/20 0.59
POLB P06746 1/20 0.39
ACACB O00763 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7259097 1.00 ITGB1 (0.59) ITGB1ITGA4POLBACACBMEN1
SCHEMBL7104368 0.90 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7104374 0.90 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7105616 0.83 ITGB1 (0.40) ITGB1ITGA4ACACBMEN1KMT2A
SCHEMBL7105624 0.83 ITGB1 (0.40) ITGB1ITGA4ACACBMEN1KMT2A
SCHEMBL7259095 0.76 ITGB1 (0.47) ITGB1ITGA4ACACB
SCHEMBL3313882 0.75 ITGB1 (0.53) ITGB1ITGA4POLB
SCHEMBL7100084 0.74 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7100060 0.74 ITGA4 (1.00) ITGB1ITGA4
SCHEMBL7100066 0.74 ITGA4 (1.00) 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