SCHEMBL8480686

SCHEMBL8480686

CCC(C=O)Oc1cc(C)cc(OS(=O)(=O)c2ccccc2OC)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.52
CTRC Q99895 4/20 0.40
PRSS2 P07478 3/20 0.37
F10 P00742 1/20 0.36

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
SCHEMBL8481882 0.85 F2 (0.52) F2CTRCPRSS2F10
SCHEMBL8479188 0.84 F2 (0.56) F2CTRCPRSS2F10
SCHEMBL8476716 0.80 F2 (0.56) F2CTRCPRSS2F10
SCHEMBL8479211 0.80 F2 (0.54) F2CTRCPRSS2F10
SCHEMBL5674550 0.79 F2 (0.61) F2CTRCPRSS2F10
SCHEMBL5672782 0.77 F2 (0.70) F2CTRCPRSS2
SCHEMBL5673566 0.76 F2 (0.70) F2CTRCPRSS2
SCHEMBL8481688 0.76 F2 (0.56) F2CTRCPRSS2
SCHEMBL5673500 0.76 F2 (0.58) F2CTRCPRSS2F10
SCHEMBL5673614 0.74 F2 (0.70) F2CTRCPRSS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed