SCHEMBL4792809

SCHEMBL4792809

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c([C@H](C)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TP53 P04637 5/20 0.47
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
ALOX5 P09917 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
PRNP P04156 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.44
PTGS2 P35354 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL4793049 1.00 MAPT (0.47) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4789072 1.00 MAPT (0.47) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL13566164 0.96 PTGS2 (0.49) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL13564541 0.94 MAPT (0.49) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL15385043 0.93 TP53 (0.52) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL15385035 0.93 TP53 (0.52) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL15385019 0.93 TP53 (0.52) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL15385040 0.91 MAPT (0.45) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL17676608 0.88 MAPT (0.43) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL13566184 0.87 ALOX5 (0.42) MAPTTP53KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed