SCHEMBL8482202

SCHEMBL8482202

Cc1cc(OC(C)C=O)cc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
F2 P00734 12/20 0.37
MCL1 Q07820 1/20 0.36
PRSS2 P07478 3/20 0.36
F10 P00742 2/20 0.36
CTRC Q99895 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL8482307 0.85 F2 (0.48) ALDH1A1F2PRSS2F10CTRC
SCHEMBL8481394 0.82 F2 (0.40) ALDH1A1L3MBTL1LMNAGLAHSD11B1
SCHEMBL8480305 0.82 F2 (0.53) F2PRSS2F10CTRC
SCHEMBL5675812 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAGLAHSD11B1
SCHEMBL5674401 0.80 F2 (0.50) ALDH1A1L3MBTL1LMNAGLAF2
SCHEMBL8479194 0.79 F2 (0.53) F2PRSS2F10CTRC
SCHEMBL8476682 0.79 F2 (0.56) F2PRSS2F10CTRC
SCHEMBL8477586 0.77 F2 (0.55) F2PRSS2CTRC
SCHEMBL5674305 0.77 F2 (0.53) F2PRSS2F10CTRC
SCHEMBL8481232 0.75 F2 (0.49) F2PRSS2F10CTRC

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