SCHEMBL6923341

SCHEMBL6923341

Cc1cc(OCCC[O])cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.70
PRSS2 P07478 4/20 0.51
CTRC Q99895 4/20 0.50

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
SCHEMBL6923344 0.89 F2 (0.72) F2PRSS2CTRC
SCHEMBL7645126 0.83 F2 (1.00) F2
SCHEMBL7645122 0.82 F2 (0.71) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL6749264 0.82 F2 (0.98) F2
Hydrochloric Acid SCHEMBL6749262 0.81 F2 (0.70) F2PRSS2CTRC
SCHEMBL3642375 0.79 F2 (0.55) F2PRSS2CTRC
SCHEMBL3642393 0.78 F2 (0.54) F2PRSS2CTRC
SCHEMBL8160877 0.77 F2 (0.54) F2PRSS2CTRC
SCHEMBL3639421 0.77 F2 (0.53) F2PRSS2CTRC
SCHEMBL5673644 0.77 F2 (0.70) F2PRSS2CTRC

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-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed