SCHEMBL5706239

SCHEMBL5706239

CCOc1ccc(Br)c(C(=O)N[C@@H](Cc2ccc(-c3ccc(C#N)cc3OC)c(OC)c2)C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
NLRP3 Q96P20 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 4/20 0.36
YAP1 P46937 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL5706160 0.93 ITGB1 (0.48) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL5706009 0.91 ITGB1 (0.45) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4649444 0.87 GAA (0.47) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4649446 0.87 GAA (0.47) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL5706008 0.81 ITGB1 (0.48) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL5706072 0.81 ITGB1 (0.45) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4648600 0.80 ITGB1 (0.52) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4649378 0.80 ITGB1 (0.52) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4648806 0.77 ITGB1 (0.49) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4648805 0.77 ITGB1 (0.49) GAARAB9AITGB1ITGA4ITGB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 WO disclosed