SCHEMBL5674385

SCHEMBL5674385

Cc1cc(OCCC=O)cc(OS(=O)(=O)c2cccc3ccccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.70
CTRC Q99895 3/20 0.48
PRSS2 P07478 2/20 0.47

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
SCHEMBL5673005 0.87 F2 (0.68) F2CTRCPRSS2
SCHEMBL5675805 0.86 F2 (0.68) F2CTRCPRSS2
SCHEMBL5674392 0.85 F2 (0.66) F2CTRCPRSS2
SCHEMBL5673452 0.84 F2 (0.69) F2CTRCPRSS2
SCHEMBL5672782 0.83 F2 (0.70) F2CTRCPRSS2
SCHEMBL5672977 0.82 F2 (0.70) F2CTRCPRSS2
SCHEMBL7442037 0.81 F2 (0.58) F2CTRCPRSS2
SCHEMBL5672845 0.81 F2 (0.71) F2CTRCPRSS2
SCHEMBL5673558 0.81 F2 (0.71) F2CTRCPRSS2
SCHEMBL5674490 0.80 F2 (0.65) F2CTRCPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906091-B1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-10-04 EP disclosed
EP-0906091-A4 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-07-21 EP disclosed
EP-0906091-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-07 EP disclosed
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
WO-1997036580-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed