SCHEMBL5066847

SCHEMBL5066847

O=C(O)CCc1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.80
ITGA4 P13612 17/20 0.80
PTGER3 P43115 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL5071004 0.91 ITGB1 (0.78) ITGB1ITGA4KDM4EMEN1ALDH1A1
SCHEMBL5068351 0.90 ITGB1 (0.82) ITGB1ITGA4KDM4EMAPTRAB9A
SCHEMBL5068926 0.89 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066874 0.89 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5068391 0.81 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5070985 0.81 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066854 0.80 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL5068415 0.79 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5069258 0.77 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5068355 0.77 ITGB1 (0.78) 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-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US claimed