SCHEMBL8905600

SCHEMBL8905600

CCCCS(=O)(=O)N[C@@H](Cc1ccc(NC(=O)c2occ3cc(C(=N)N)ccc23)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.54
ITGA2B P08514 13/20 0.54
PLAU P00749 5/20 0.43
PLG P00747 4/20 0.43
PLAT P00750 4/20 0.43
PRSS1 P07477 4/20 0.43
F2 P00734 3/20 0.43
KLKB1 P03952 3/20 0.43
KLK1 P06870 1/20 0.42
ITGAV P06756 3/20 0.41
CHRM2 P08172 1/20 0.41
SLC6A4 P31645 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGB5 P18084 2/20 0.41
MMP9 P14780 2/20 0.39
HPN P05981 1/20 0.38

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
SCHEMBL8903869 1.00 ITGB3 (0.54) ITGB3ITGA2BPLAUPLGPLAT
SCHEMBL8904310 0.92 ITGB3 (0.47) ITGB3ITGA2BPLAUPLGPLAT
SCHEMBL8903880 0.85 F2 (0.41) ITGB3ITGA2BPLAUPLGPLAT
SCHEMBL8905568 0.85 ITGB3 (0.68) ITGB3ITGA2BPLAUPLGPLAT
SCHEMBL8903850 0.85 ITGB3 (0.68) ITGB3ITGA2BPLAUPLGPLAT
SCHEMBL8904848 0.80 PLAU (0.48) ITGB3ITGA2BPLAUPLGPLAT
SCHEMBL8770351 0.79 ITGB3 (0.61) ITGB3ITGA2BPLAUITGAVCHRM2
SCHEMBL8905183 0.78 CNR2 (0.41) ITGB3ITGA2BPLAUITGAVCHRM2
SCHEMBL8903960 0.77 F2 (0.47) ITGB3ITGA2BPLAUPLGPLAT
SCHEMBL8713085 0.77 ITGB3 (0.60) ITGB3ITGA2BPLAUPLGPLAT

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed