SCHEMBL4792565

SCHEMBL4792565

C=CCCCNc1cc2oc(-c3ccc(Oc4ccc(F)cc4)cc3)c(C(=O)OCC)c2cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 3/20 0.39
PRNP P04156 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 1/20 0.37
RCE1 Q9Y256 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4792280 0.96 KDM4E (0.40) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4790731 0.92 MAPT (0.41) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4792508 0.87 PTGS2 (0.45) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4792510 0.86 MEN1 (0.50) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL15385034 0.84 PTGS2 (0.43) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4792305 0.83 KDM4E (0.43) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4792192 0.82 MEN1 (0.49) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL15385000 0.80 MEN1 (0.38) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2299438 0.79 PTGS2 (0.49) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL17676599 0.78 MEN1 (0.39) PTGS2KDM4EALDH1A1HPGDL3MBTL1

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