SCHEMBL6479285

SCHEMBL6479285

CC(C)(C)OC(=O)c1ccc(C(=O)N[C@H]2CN3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@]3(Cc3ccc(Br)cc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 15/20 0.41
ITGB2 P05107 14/20 0.41
ICAM1 P05362 14/20 0.41
GCGR P47871 1/20 0.36
UTS2R Q9UKP6 2/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CACNA1H O95180 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6477737 0.89 ITGAL (0.43) ITGALITGB2ICAM1GCGR
SCHEMBL6530585 0.88 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL6530588 0.88 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4848413 0.83 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL6478538 0.83 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL4844861 0.76 METAP2 (0.39) GCGR
SCHEMBL4840120 0.75 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4847894 0.75 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4849061 0.75 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4840098 0.75 ITGAL (0.48) ITGALITGB2ICAM1

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-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed