SCHEMBL6923344

SCHEMBL6923344

Cc1cc(OCCCO)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.72
PRSS2 P07478 3/20 0.53
CTRC Q99895 3/20 0.52

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
SCHEMBL6923341 0.89 F2 (0.70) F2PRSS2CTRC
SCHEMBL5673644 0.88 F2 (0.70) F2PRSS2CTRC
SCHEMBL7645126 0.84 F2 (1.00) F2
SCHEMBL5674291 0.83 F2 (0.74) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL6749264 0.83 F2 (0.98) F2
SCHEMBL7645122 0.83 F2 (0.71) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL6749262 0.82 F2 (0.70) F2PRSS2CTRC
SCHEMBL5676136 0.82 F2 (0.72) F2PRSS2CTRC
SCHEMBL6748096 0.82 F2 (0.68) F2PRSS2CTRC
SCHEMBL5674392 0.81 F2 (0.66) 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