SCHEMBL6500029

SCHEMBL6500029

CSc1ccc(C=CC(=O)N2CC(C(=O)O)C2)c(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 16/20 0.54
ITGB2 P05107 12/20 0.54
ICAM1 P05362 12/20 0.54
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 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
SCHEMBL6500024 1.00 ITGAL (0.54) ITGALITGB2ICAM1POLBMAPT
SCHEMBL6495883 0.88 ITGAL (0.68) ITGALITGB2ICAM1MAPTL3MBTL1
SCHEMBL6495878 0.88 ITGAL (0.68) ITGALITGB2ICAM1MAPTL3MBTL1
SCHEMBL8298803 0.87 ITGAL (0.49) ITGALITGB2ICAM1POLBMAPT
SCHEMBL8296823 0.84 ITGB2 (0.52) ITGALITGB2ICAM1POLBMAPT
SCHEMBL8298709 0.81 ITGAL (0.57) ITGALITGB2ICAM1POLBMAPT
SCHEMBL8298631 0.80 ITGAL (0.56) ITGALITGB2ICAM1POLBMAPT
SCHEMBL6820886 0.78 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL6244088 0.77 ITGB2 (0.41) ITGALITGB2ICAM1POLBL3MBTL1
SCHEMBL6244089 0.77 ITGB2 (0.41) ITGALITGB2ICAM1POLBL3MBTL1

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed