SCHEMBL7264091

SCHEMBL7264091

CCCNc1c(N[C@@H](Cc2ccc(NC(=O)Oc3ccc(F)cc3)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.59
ITGA4 P13612 18/20 0.59
FAAH O00519 1/20 0.49
RAB9A P51151 1/20 0.42

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
SCHEMBL7264095 1.00 ITGB1 (0.59) ITGB1ITGA4FAAHRAB9A
SCHEMBL7099505 0.91 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL7099501 0.91 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL7105795 0.91 ITGB1 (0.60) ITGB1ITGA4RAB9A
SCHEMBL7105799 0.91 ITGB1 (0.60) ITGB1ITGA4RAB9A
SCHEMBL7263253 0.85 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL7263254 0.85 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL7100894 0.80 ITGB1 (0.64) ITGB1ITGA4RAB9A
SCHEMBL7100888 0.80 ITGB1 (0.64) ITGB1ITGA4RAB9A
SCHEMBL7259410 0.78 ITGB1 (0.64) ITGB1ITGA4RAB9A

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