SCHEMBL7446279

SCHEMBL7446279

Cc1cc(OCCCCCNC(=O)OC(C)(C)C)cc(OS(=O)(=O)c2ccccc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.63
CTRC Q99895 5/20 0.63
PRSS2 P07478 5/20 0.62
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
F10 P00742 3/20 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
SCHEMBL7446027 0.99 F2 (0.61) F2CTRCPRSS2CA12CA1
SCHEMBL7442943 0.96 F2 (0.62) F2CTRCPRSS2CA12CA1
Hydrochloric Acid SCHEMBL7450506 0.84 F2 (0.75) F2CTRCPRSS2F10
SCHEMBL5674291 0.79 F2 (0.74) F2CTRCPRSS2F10
Acetic Acid SCHEMBL7603833 0.79 F2 (0.71) F2CTRCPRSS2F10
SCHEMBL8158052 0.79 F2 (0.73) F2CTRCPRSS2F10
SCHEMBL3642918 0.78 F2 (0.70) F2CTRCPRSS2F10
SCHEMBL3647138 0.77 F2 (0.71) F2CTRCPRSS2F10
SCHEMBL6553417 0.77 F2 (0.68) F2CTRCPRSS2F10
SCHEMBL6750719 0.76 F2 (0.73) F2CTRCPRSS2F10

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 4 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 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