SCHEMBL7445880

SCHEMBL7445880

COc1cccc(S(=O)(=O)Oc2cc(C)cc(OCC3CCN(C(=N)N)CC3)c2)c1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.85
F10 P00742 2/20 0.68
PRSS2 P07478 2/20 0.68
CTRC Q99895 1/20 0.57

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
Hydrochloric Acid SCHEMBL7445873 0.99 F2 (0.83) F2F10PRSS2CTRC
SCHEMBL7451511 0.92 F2 (1.00) F2F10PRSS2
Hydrochloric Acid SCHEMBL7451501 0.91 F2 (0.98) F2F10PRSS2
SCHEMBL7445136 0.90 F2 (0.80) F2F10PRSS2
SCHEMBL7445668 0.90 F2 (0.86) F2F10PRSS2
SCHEMBL7439713 0.90 F2 (0.79) F2F10PRSS2
Hydrochloric Acid SCHEMBL7451173 0.90 F2 (0.79) F2F10PRSS2
Hydrochloric Acid SCHEMBL7445659 0.89 F2 (0.84) F2F10PRSS2
Acetic Acid SCHEMBL7439251 0.88 F2 (0.93) F2F10PRSS2
Acetic Acid SCHEMBL7445845 0.87 F2 (0.94) F2F10PRSS2

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 8 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-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP claimed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP claimed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO claimed
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed