SCHEMBL8480305

SCHEMBL8480305

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.53
PRSS2 P07478 6/20 0.52
CTRC Q99895 7/20 0.51
F10 P00742 4/20 0.51

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
SCHEMBL8476682 0.92 F2 (0.56) F2PRSS2CTRCF10
SCHEMBL8481232 0.88 F2 (0.49) F2PRSS2CTRCF10
SCHEMBL8482307 0.87 F2 (0.48) F2PRSS2CTRCF10
SCHEMBL8481882 0.84 F2 (0.52) F2PRSS2CTRCF10
SCHEMBL8479909 0.84 F2 (0.53) F2PRSS2CTRCF10
SCHEMBL8482323 0.82 F2 (0.53) F2PRSS2CTRCF10
SCHEMBL8479194 0.82 F2 (0.53) F2PRSS2CTRCF10
SCHEMBL8482202 0.82 ALDH1A1 (0.40) F2PRSS2CTRCF10
SCHEMBL8476926 0.81 F2 (0.53) F2
SCHEMBL8477586 0.81 F2 (0.55) F2PRSS2CTRC

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