SCHEMBL7603035

SCHEMBL7603035

Cc1cc(OCC2CCN(C=NN)CC2)cc(OS(=O)(=O)c2cccc(OCC(=O)O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.59
F10 P00742 2/20 0.48
PRSS2 P07478 2/20 0.48
CTRC Q99895 2/20 0.45

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
Acetic Acid SCHEMBL7601956 0.89 F2 (0.68) F2F10PRSS2CTRC
Acetic Acid SCHEMBL7602922 0.89 F2 (0.69) F2F10PRSS2CTRC
Hydrochloric Acid SCHEMBL7605650 0.88 F2 (0.59) F2F10PRSS2CTRC
Acetic Acid SCHEMBL7604471 0.87 F2 (0.69) F2F10PRSS2CTRC
Hydrochloric Acid SCHEMBL7603179 0.86 F2 (0.61) F2F10PRSS2CTRC
SCHEMBL7439713 0.86 F2 (0.79) F2F10PRSS2
Hydrochloric Acid SCHEMBL7598831 0.85 F2 (0.70) F2F10PRSS2CTRC
Acetic Acid SCHEMBL7603855 0.85 F2 (0.70) F2F10PRSS2CTRC
Hydrochloric Acid SCHEMBL7600013 0.82 F2 (0.72) F2F10PRSS2CTRC
Hydrochloric Acid SCHEMBL7603444 0.81 F2 (0.69) F2F10PRSS2CTRC

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
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP claimed
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed