SCHEMBL4792305

SCHEMBL4792305

C=CCCCNc1cc2oc(-c3ccc(F)cc3)c(C(=O)OCC)c2cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
ALOX5 P09917 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PRNP P04156 1/20 0.40
PTGS2 P35354 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
RCE1 Q9Y256 1/20 0.39
F2 P00734 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.37
F11 P03951 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
SCHEMBL4792508 0.96 PTGS2 (0.45) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL17922122 0.95 KDM4E (0.44) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL4792192 0.88 MEN1 (0.49) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL4792280 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL15385011 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL4792510 0.84 MEN1 (0.50) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL3533863 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL4792565 0.83 PTGS2 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4790729 0.82 MEN1 (0.51) KDM4EALDH1A1HPGDALOX5MEN1
SCHEMBL12940112 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDALOX5MEN1

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