SCHEMBL8476293

SCHEMBL8476293

CCC(O)Oc1cc(C)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.57
PRSS2 P07478 6/20 0.47
F10 P00742 4/20 0.46
CTRC Q99895 6/20 0.46

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
SCHEMBL8477294 0.91 F2 (0.57) F2PRSS2F10CTRC
SCHEMBL8481378 0.83 F2 (0.56) F2PRSS2CTRC
SCHEMBL8477076 0.83 F2 (0.52) F2PRSS2F10CTRC
SCHEMBL8481393 0.82 F2 (0.55) F2PRSS2F10CTRC
SCHEMBL8476682 0.81 F2 (0.56) F2PRSS2F10CTRC
SCHEMBL8481772 0.81 F2 (0.54) F2
SCHEMBL8479188 0.81 F2 (0.56) F2PRSS2F10CTRC
SCHEMBL5674206 0.80 F2 (0.60) F2PRSS2F10CTRC
SCHEMBL8482817 0.79 F2 (0.39) F2PRSS2CTRC
SCHEMBL8476248 0.79 F2 (0.51) F2

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